4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide

C22H21N7O3 — CID 167101353

IUPAC4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnn(C)c2)c1C#N
InChIInChI=1S/C22H21N7O3/c1-29-12-14(10-25-29)15-4-3-5-18(16(15)9-23)26-19-8-20(27-21(30)13-6-7-13)24-11-17(19)22(31)28-32-2/h3-5,8,10-13H,6-7H2,1-2H3,(H,28,31)(H2,24,26,27,30)
InChIKeyJVRAYZZVRKCIPJ-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.74
Rot. Bonds7

About 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide

4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide (PubChem CID 167101353) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide
PubChem CID167101353
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnn(C)c2)c1C#N
InChIInChI=1S/C22H21N7O3/c1-29-12-14(10-25-29)15-4-3-5-18(16(15)9-23)26-19-8-20(27-21(30)13-6-7-13)24-11-17(19)22(31)28-32-2/h3-5,8,10-13H,6-7H2,1-2H3,(H,28,31)(H2,24,26,27,30)
InChIKeyJVRAYZZVRKCIPJ-UHFFFAOYSA-N
XLogP2.74
TPSA133.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]-3-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide
CID 167101121
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-spiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965831
6-(cyclopropanecarbonylamino)-4-[3-[1-[(1S,2S)-2-fluorocyclopentyl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170966064
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101479
N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 135343600
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-5,8-dioxaspiro[3.4]octan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170965504
6-(cyclopropanecarbonylamino)-N-methoxy-4-[[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 170164285
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 170281274
N-[5-(2-fluorocyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide
CID 155279406
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide?
The IUPAC name of 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide (CID 167101353) is 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide.
What is the SMILES notation for 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide?
The canonical SMILES for 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide is CONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnn(C)c2)c1C#N.
What is the InChIKey of 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide?
The InChIKey is JVRAYZZVRKCIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-29-12-14(10-25-29)15-4-3-5-18(16(15)9-23)26-19-8-20(27-21(30)13-6-7-13)24-11-17(19)22(31)28-32-2/h3-5,8,10-13H,6-7H2,1-2H3,(H,28,31)(H2,24,26,27,30).
What are the key properties of 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide?
4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide is sourced from PubChem (CID 167101353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).