2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide

C19H19N7O — CID 46215451

IUPAC2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C)ncc1C#N
InChIInChI=1S/C19H19N7O/c1-12-8-18(26(3)25-12)24-17-9-16(13(10-20)11-22-17)23-15-7-5-4-6-14(15)19(27)21-2/h4-9,11H,1-3H3,(H,21,27)(H2,22,23,24)
InChIKeyVRGZVTVYHQMJOB-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.84
Rot. Bonds5

About 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide

2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 46215451) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID46215451
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C)ncc1C#N
InChIInChI=1S/C19H19N7O/c1-12-8-18(26(3)25-12)24-17-9-16(13(10-20)11-22-17)23-15-7-5-4-6-14(15)19(27)21-2/h4-9,11H,1-3H3,(H,21,27)(H2,22,23,24)
InChIKeyVRGZVTVYHQMJOB-UHFFFAOYSA-N
XLogP2.84
TPSA107.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide (CID 46215451) is 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C)ncc1C#N.
What is the InChIKey of 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is VRGZVTVYHQMJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12-8-18(26(3)25-12)24-17-9-16(13(10-20)11-22-17)23-15-7-5-4-6-14(15)19(27)21-2/h4-9,11H,1-3H3,(H,21,27)(H2,22,23,24).
What are the key properties of 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide?
2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 361.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyano-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 46215451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).