bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride

C61H65Cl2I3N14O8 — CID 161433495

IUPACbis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc2cncc(I)c2n1.CCN(CC)CCNC(=O)c1ccc2cncc(I)c2n1.CCOC(=O)c1ccc2cncc(I)c2n1.CCOC(=O)c1ccc2cnccc2n1.Cl.Cl.O=C(O)c1ccc2cnccc2n1
InChIInChI=1S/2C15H19IN4O.C11H9IN2O2.C11H10N2O2.C9H6N2O2.2ClH/c2*1-3-20(4-2)8-7-18-15(21)13-6-5-11-9-17-10-12(16)14(11)19-13;1-2-16-11(15)9-4-3-7-5-13-6-8(12)10(7)14-9;1-2-15-11(14)10-4-3-8-7-12-6-5-9(8)13-10;12-9(13)8-2-1-6-5-10-4-3-7(6)11-8;;/h2*5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,21);3-6H,2H2,1H3;3-7H,2H2,1H3;1-5H,(H,12,13);2*1H
InChIKeyRLPMXOQQSJSMEJ-UHFFFAOYSA-N
MW1573.90 g/mol
LogP11.00
Rot. Bonds17

About bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride

bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride (PubChem CID 161433495) has the molecular formula C61H65Cl2I3N14O8 and a molecular weight of 1573.90 g/mol. Its IUPAC name is bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Namebis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride
PubChem CID161433495
Molecular FormulaC61H65Cl2I3N14O8
Molecular Weight1573.90 g/mol
Exact Mass1572.16
IUPAC Namebis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc2cncc(I)c2n1.CCN(CC)CCNC(=O)c1ccc2cncc(I)c2n1.CCOC(=O)c1ccc2cncc(I)c2n1.CCOC(=O)c1ccc2cnccc2n1.Cl.Cl.O=C(O)c1ccc2cnccc2n1
InChIInChI=1S/2C15H19IN4O.C11H9IN2O2.C11H10N2O2.C9H6N2O2.2ClH/c2*1-3-20(4-2)8-7-18-15(21)13-6-5-11-9-17-10-12(16)14(11)19-13;1-2-16-11(15)9-4-3-7-5-13-6-8(12)10(7)14-9;1-2-15-11(14)10-4-3-8-7-12-6-5-9(8)13-10;12-9(13)8-2-1-6-5-10-4-3-7(6)11-8;;/h2*5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,21);3-6H,2H2,1H3;3-7H,2H2,1H3;1-5H,(H,12,13);2*1H
InChIKeyRLPMXOQQSJSMEJ-UHFFFAOYSA-N
XLogP11.00
TPSA283.48 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.90
LogP ≤ 511.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride with MolForge

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Related Compounds

N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(2-pyridylmethoxy)-1-piperidyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]quinoline-2-carboxamide
CID 503206
6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 159603872
6-(2,2-difluorocyclopropyl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 6-ethenyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 160238474
ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;6-isocyano-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-isocyano-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;pyridin-2-ylmethanamine
CID 161586400
Benzyl 4-[(1,6-naphthyridine-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933576
N-cyclohexyl-N-methyl-1,6-naphthyridine-2-carboxamide;1,6-naphthyridine-2-carboxylic acid
CID 69986290
N-[(2S)-1-[[4-[2-(tert-butylcarbamoyl)-4-(pyridin-2-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 70093479
N-[(2S)-1-[[(2S,3R)-4-[(4R)-2-(tert-butylcarbamoyl)-4-(pyridin-2-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 70093482
[(3R,4S,5S)-3-(carboxyamino)-5-methyl-1-[3-[[7-morpholin-4-yl-3-(phenylmethoxycarbonylamino)quinoline-2-carbonyl]amino]-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 90279765
ethane;N-[2-[(3-hydroxy-1-phenyl-4-piperidin-1-ylbutan-2-yl)amino]-2-oxoethyl]quinoline-2-carboxamide;4-(methoxymethyl)pyridine;propane
CID 145129292
6-cyclopropyl-4-methyl-8-phenyl-N-(pyrazin-2-ylmethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-phenylquinoline-2-carboxylate;methane;molecular hydrogen
CID 157085363
1-[5-(4-Chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane
CID 157103186

Frequently Asked Questions

What is the IUPAC name of bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride?
The IUPAC name of bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride (CID 161433495) is bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride is CCN(CC)CCNC(=O)c1ccc2cncc(I)c2n1.CCN(CC)CCNC(=O)c1ccc2cncc(I)c2n1.CCOC(=O)c1ccc2cncc(I)c2n1.CCOC(=O)c1ccc2cnccc2n1.Cl.Cl.O=C(O)c1ccc2cnccc2n1.
What is the InChIKey of bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride?
The InChIKey is RLPMXOQQSJSMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19IN4O.C11H9IN2O2.C11H10N2O2.C9H6N2O2.2ClH/c2*1-3-20(4-2)8-7-18-15(21)13-6-5-11-9-17-10-12(16)14(11)19-13;1-2-16-11(15)9-4-3-7-5-13-6-8(12)10(7)14-9;1-2-15-11(14)10-4-3-8-7-12-6-5-9(8)13-10;12-9(13)8-2-1-6-5-10-4-3-7(6)11-8;;/h2*5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,21);3-6H,2H2,1H3;3-7H,2H2,1H3;1-5H,(H,12,13);2*1H.
What are the key properties of bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride?
bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride has a molecular weight of 1573.90 g/mol, XLogP of 11.00, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[2-(diethylamino)ethyl]-8-iodo-1,6-naphthyridine-2-carboxamide);ethyl 8-iodo-1,6-naphthyridine-2-carboxylate;ethyl 1,6-naphthyridine-2-carboxylate;1,6-naphthyridine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 161433495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).