2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide

C17H19N7O — CID 172892260

IUPAC2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCN(c2ncnc3cnccc23)CC1
InChIInChI=1S/C17H19N7O/c1-23-15(3-7-21-23)17(25)22-12-4-8-24(9-5-12)16-13-2-6-18-10-14(13)19-11-20-16/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,25)
InChIKeyNWSKMRYEQRPENQ-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide

2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 172892260) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID172892260
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCN(c2ncnc3cnccc23)CC1
InChIInChI=1S/C17H19N7O/c1-23-15(3-7-21-23)17(25)22-12-4-8-24(9-5-12)16-13-2-6-18-10-14(13)19-11-20-16/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,25)
InChIKeyNWSKMRYEQRPENQ-UHFFFAOYSA-N
XLogP1.16
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172892019
N-[1-(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidin-4-yl]benzamide
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2,2-dimethyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-3-yl)propanamide
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N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
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N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide
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2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465
N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
CID 105059420
N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide
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2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide (CID 172892260) is 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCN(c2ncnc3cnccc23)CC1.
What is the InChIKey of 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is NWSKMRYEQRPENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-23-15(3-7-21-23)17(25)22-12-4-8-24(9-5-12)16-13-2-6-18-10-14(13)19-11-20-16/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,25).
What are the key properties of 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide?
2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 172892260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).