methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate

C19H18N4O2 — CID 167778234

IUPACmethyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2cncc(-c3ccc(N4CCCC4)nc3)c2n1
InChIInChI=1S/C19H18N4O2/c1-25-19(24)16-6-4-14-10-20-12-15(18(14)22-16)13-5-7-17(21-11-13)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyQJUIDAKAKFTAQY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.08
Rot. Bonds3

About methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate

methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate (PubChem CID 167778234) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate
PubChem CID167778234
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Namemethyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2cncc(-c3ccc(N4CCCC4)nc3)c2n1
InChIInChI=1S/C19H18N4O2/c1-25-19(24)16-6-4-14-10-20-12-15(18(14)22-16)13-5-7-17(21-11-13)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyQJUIDAKAKFTAQY-UHFFFAOYSA-N
XLogP3.08
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 154752871
methyl 4-[[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 53145732
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 6-piperidin-1-ylquinoline-2-carboxylate
CID 82247475
methyl 8-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]quinoline-2-carboxylate
CID 67134119
N-(4-methoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145632
methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate
CID 114090049
dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
CID 138673928
methyl 3-(6-piperazin-1-yl-3-pyridinyl)-1-sulfamoylpyrrole-2-carboxylate
CID 156742325
7-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
CID 90105575
lithium;methyl 5-chloropyrazine-2-carboxylate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate;5-piperidin-1-ylpyrazine-2-carboxylic acid;hydroxide;hydrate
CID 163715404
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031

Frequently Asked Questions

What is the IUPAC name of methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate?
The IUPAC name of methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate (CID 167778234) is methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate is COC(=O)c1ccc2cncc(-c3ccc(N4CCCC4)nc3)c2n1.
What is the InChIKey of methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate?
The InChIKey is QJUIDAKAKFTAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-19(24)16-6-4-14-10-20-12-15(18(14)22-16)13-5-7-17(21-11-13)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3.
What are the key properties of methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate?
methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridine-2-carboxylate is sourced from PubChem (CID 167778234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).