5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride

C47H65Br2ClI2N10O2 — CID 157439996

IUPAC5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride
SMILESBrc1ccc(I)nc1.Brc1ccc(N(c2cccnc2)C2CCNCC2)nc1.C.CC(C)(C)OC(=O)N1CCC(Nc2cccnc2)CC1.Cl.Ic1cccnc1.NC1CCCCC1
InChIInChI=1S/C15H17BrN4.C15H23N3O2.C6H13N.C5H3BrIN.C5H4IN.CH4.ClH/c16-12-3-4-15(19-10-12)20(13-5-8-17-9-6-13)14-2-1-7-18-11-14;1-15(2,3)20-14(19)18-9-6-12(7-10-18)17-13-5-4-8-16-11-13;7-6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4;6-5-2-1-3-7-4-5;;/h1-4,7,10-11,13,17H,5-6,8-9H2;4-5,8,11-12,17H,6-7,9-10H2,1-3H3;6H,1-5,7H2;1-3H;1-4H;1H4;1H
InChIKeyMQSYNALLVSLEQS-UHFFFAOYSA-N
MW1251.17 g/mol
LogP12.49
Rot. Bonds5

About 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride

5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride (PubChem CID 157439996) has the molecular formula C47H65Br2ClI2N10O2 and a molecular weight of 1251.17 g/mol. Its IUPAC name is 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride
PubChem CID157439996
Molecular FormulaC47H65Br2ClI2N10O2
Molecular Weight1251.17 g/mol
Exact Mass1248.14
IUPAC Name5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride
SMILESBrc1ccc(I)nc1.Brc1ccc(N(c2cccnc2)C2CCNCC2)nc1.C.CC(C)(C)OC(=O)N1CCC(Nc2cccnc2)CC1.Cl.Ic1cccnc1.NC1CCCCC1
InChIInChI=1S/C15H17BrN4.C15H23N3O2.C6H13N.C5H3BrIN.C5H4IN.CH4.ClH/c16-12-3-4-15(19-10-12)20(13-5-8-17-9-6-13)14-2-1-7-18-11-14;1-15(2,3)20-14(19)18-9-6-12(7-10-18)17-13-5-4-8-16-11-13;7-6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4;6-5-2-1-3-7-4-5;;/h1-4,7,10-11,13,17H,5-6,8-9H2;4-5,8,11-12,17H,6-7,9-10H2,1-3H3;6H,1-5,7H2;1-3H;1-4H;1H4;1H
InChIKeyMQSYNALLVSLEQS-UHFFFAOYSA-N
XLogP12.49
TPSA147.31 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001251.17
LogP ≤ 512.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(5-Bromo-2-cyclohexylamino-pyridin-4-yl)-[2,6]naphthyridin-1-yl]-piperazine-1-carboxylic acid tert-butyl ester
CID 67026532
Tert-butyl 4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carboxylate
CID 70134848
Tert-butyl 3-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carboxylate
CID 70137621
CID 141530317
CID 141530317
tert-butyl N-[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]-N-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethyl]carbamate;tert-butyl N-methyl-N-[6-[2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[2-(2H-pyridin-2-ylium-6-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-2-pyridinyl]carbamate;6-[2-[[6-[2-(dipyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]-N-methylpyridin-2-amine;N-methyl-6-[2-[[6-[2-(pyridin-2-ylamino)ethyl]-2-pyridinyl]amino]ethyl]pyridin-2-amine
CID 157354724
3-bromopyridine;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-(1-pyridin-3-ylpiperidin-4-yl)carbamate;methane;1-pyridin-3-ylpiperidin-4-amine
CID 157398496
5-bromo-2-chloro-N-cyclopentylpyrimidin-4-amine;tert-butyl 4-(5-amino-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[5-[[5-bromo-4-(cyclopentylamino)pyrimidin-2-yl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 157633026
5-bromo-2-chloro-N-cyclopentylpyrimidin-4-amine;tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-bromo-4-(cyclopentylamino)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 157757133
6-bromo-N-(2-pyridin-2-ylethyl)pyridin-2-amine;tert-butyl N-(6-bromo-2-pyridinyl)-N-(2-pyridin-2-ylethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2,6-dibromopyridine;2-pyridin-2-ylethanamine
CID 157908238
2-Bromo-5-nitropyridine;tert-butyl 4-(5-amino-2-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-nitro-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methane
CID 157927706
5-Bromopyridin-2-amine;tert-butyl 7-(6-amino-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate;tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate;methane;triiodovanadium;vanadium
CID 158074936
5-Bromo-2-nitropyridine;tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 158078914

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride?
The IUPAC name of 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride (CID 157439996) is 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride.
What is the SMILES notation for 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride?
The canonical SMILES for 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride is Brc1ccc(I)nc1.Brc1ccc(N(c2cccnc2)C2CCNCC2)nc1.C.CC(C)(C)OC(=O)N1CCC(Nc2cccnc2)CC1.Cl.Ic1cccnc1.NC1CCCCC1.
What is the InChIKey of 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride?
The InChIKey is MQSYNALLVSLEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4.C15H23N3O2.C6H13N.C5H3BrIN.C5H4IN.CH4.ClH/c16-12-3-4-15(19-10-12)20(13-5-8-17-9-6-13)14-2-1-7-18-11-14;1-15(2,3)20-14(19)18-9-6-12(7-10-18)17-13-5-4-8-16-11-13;7-6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4;6-5-2-1-3-7-4-5;;/h1-4,7,10-11,13,17H,5-6,8-9H2;4-5,8,11-12,17H,6-7,9-10H2,1-3H3;6H,1-5,7H2;1-3H;1-4H;1H4;1H.
What are the key properties of 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride?
5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride has a molecular weight of 1251.17 g/mol, XLogP of 12.49, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodopyridine;5-bromo-N-piperidin-4-yl-N-pyridin-3-ylpyridin-2-amine;tert-butyl 4-(pyridin-3-ylamino)piperidine-1-carboxylate;cyclohexanamine;3-iodopyridine;methane;hydrochloride is sourced from PubChem (CID 157439996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).