2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide

C18H19N7O — CID 154822358

IUPAC2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc2ncnc(N3CCN(c4ncccc4C(N)=O)CC3)c2n1
InChIInChI=1S/C18H19N7O/c1-12-4-5-14-15(23-12)18(22-11-21-14)25-9-7-24(8-10-25)17-13(16(19)26)3-2-6-20-17/h2-6,11H,7-10H2,1H3,(H2,19,26)
InChIKeyUNRGLFVUEISDLC-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.15
Rot. Bonds3

About 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 154822358) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID154822358
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc2ncnc(N3CCN(c4ncccc4C(N)=O)CC3)c2n1
InChIInChI=1S/C18H19N7O/c1-12-4-5-14-15(23-12)18(22-11-21-14)25-9-7-24(8-10-25)17-13(16(19)26)3-2-6-20-17/h2-6,11H,7-10H2,1H3,(H2,19,26)
InChIKeyUNRGLFVUEISDLC-UHFFFAOYSA-N
XLogP1.15
TPSA101.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
2-[4-(8-chloro-2-methylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 131918713
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133360498
2-[4-(3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 67161145
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 163318701
5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine
CID 154563734
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 61015190
2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 132968653

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide (CID 154822358) is 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide is Cc1ccc2ncnc(N3CCN(c4ncccc4C(N)=O)CC3)c2n1.
What is the InChIKey of 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is UNRGLFVUEISDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12-4-5-14-15(23-12)18(22-11-21-14)25-9-7-24(8-10-25)17-13(16(19)26)3-2-6-20-17/h2-6,11H,7-10H2,1H3,(H2,19,26).
What are the key properties of 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154822358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).