2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide

C19H19N7O — CID 91496649

IUPAC2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
SMILESCc1nn(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C#N)cn1
InChIInChI=1S/C19H19N7O/c1-12-17(11-26(2)25-12)24-18-7-16(14(8-20)10-23-18)22-9-13-5-3-4-6-15(13)19(21)27/h3-7,10-11H,9H2,1-2H3,(H2,21,27)(H2,22,23,24)
InChIKeySROFHXNVZVEGTP-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.45
Rot. Bonds6

About 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide

2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide (PubChem CID 91496649) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
PubChem CID91496649
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
SMILESCc1nn(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C#N)cn1
InChIInChI=1S/C19H19N7O/c1-12-17(11-26(2)25-12)24-18-7-16(14(8-20)10-23-18)22-9-13-5-3-4-6-15(13)19(21)27/h3-7,10-11H,9H2,1-2H3,(H2,21,27)(H2,22,23,24)
InChIKeySROFHXNVZVEGTP-UHFFFAOYSA-N
XLogP2.45
TPSA121.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzamide
CID 91000279
2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
CID 90842896
2-[[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-6-(methoxymethyl)benzamide
CID 123423223
2-[(5-cyano-2-methylanilino)methyl]benzamide
CID 62103575
2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
CID 102807082
2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide
CID 46215451
2-[[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]methyl]benzamide
CID 69090152
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112668289
5-amino-2-[(1,3-dimethylpyrazol-4-yl)amino]benzonitrile
CID 102803725
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
5-chloro-2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112669739
N-(1,3-dimethylpyrazol-4-yl)-5-fluoropyridin-2-amine
CID 102806096

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide?
The IUPAC name of 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide (CID 91496649) is 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide is Cc1nn(C)cc1Nc1cc(NCc2ccccc2C(N)=O)c(C#N)cn1.
What is the InChIKey of 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide?
The InChIKey is SROFHXNVZVEGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12-17(11-26(2)25-12)24-18-7-16(14(8-20)10-23-18)22-9-13-5-3-4-6-15(13)19(21)27/h3-7,10-11H,9H2,1-2H3,(H2,21,27)(H2,22,23,24).
What are the key properties of 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide?
2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide has a molecular weight of 361.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-cyano-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide is sourced from PubChem (CID 91496649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).