6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C17H17N7O — CID 11709781

IUPAC6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1
InChIInChI=1S/C17H17N7O/c1-24-7-6-15(23-24)22-17(25)16-14(20-12-8-18-10-19-9-12)5-4-13(21-16)11-2-3-11/h4-11,20H,2-3H2,1H3,(H,22,23,25)
InChIKeyGAGASSHNDNZIOT-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.48
Rot. Bonds5

About 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 11709781) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID11709781
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1
InChIInChI=1S/C17H17N7O/c1-24-7-6-15(23-24)22-17(25)16-14(20-12-8-18-10-19-9-12)5-4-13(21-16)11-2-3-11/h4-11,20H,2-3H2,1H3,(H,22,23,25)
InChIKeyGAGASSHNDNZIOT-UHFFFAOYSA-N
XLogP2.48
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415173
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415137
methyl 4-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 70099200
6-cyclopropyl-N-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415347
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-quinolin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328817
6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415245
methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate
CID 70099202
[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443173
6-cyclopropyl-N-[4-(3,3-dimethylpyrrolidin-1-yl)-3-imino-1-methylimino-4-oxobutan-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 123581354
N-[3-amino-4-(1-methoxypropan-2-ylamino)-1-methylimino-4-oxobut-2-en-2-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 157380036
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 11709781) is 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1ccc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)n1.
What is the InChIKey of 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is GAGASSHNDNZIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-24-7-6-15(23-24)22-17(25)16-14(20-12-8-18-10-19-9-12)5-4-13(21-16)11-2-3-11/h4-11,20H,2-3H2,1H3,(H,22,23,25).
What are the key properties of 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 11709781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).