4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

C28H23N7O — CID 66900294

IUPAC4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cccnc2Nc2ccccc2)ccn1
InChIInChI=1S/C28H23N7O/c36-28(33-22-9-4-6-20(16-22)27-34-31-18-35(27)23-11-12-23)25-17-19(13-15-29-25)24-10-5-14-30-26(24)32-21-7-2-1-3-8-21/h1-10,13-18,23H,11-12H2,(H,30,32)(H,33,36)
InChIKeyXIEDDYLHVVPBBM-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.73
Rot. Bonds7

About 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 66900294) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID66900294
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cccnc2Nc2ccccc2)ccn1
InChIInChI=1S/C28H23N7O/c36-28(33-22-9-4-6-20(16-22)27-34-31-18-35(27)23-11-12-23)25-17-19(13-15-29-25)24-10-5-14-30-26(24)32-21-7-2-1-3-8-21/h1-10,13-18,23H,11-12H2,(H,30,32)(H,33,36)
InChIKeyXIEDDYLHVVPBBM-UHFFFAOYSA-N
XLogP5.73
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365529
4-(6-tert-butyl-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 58103028
4-(benzotriazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 58102924
4-[6-(cyclobutylmethyl)-3-pyridinyl]-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 158914878
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine
CID 150771681
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
4-[(1E)-1-[(2-amino-2-oxoethylidene)amino]buta-1,3-dien-2-yl]-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 163673985
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2-methylpropylsulfanyl)-3-pyridinyl]pyridine-2-carboxamide;N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(6-methylsulfanyl-3-pyridinyl)pyridine-2-carboxamide
CID 118450802
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-pyridinyl]-4-quinolin-3-ylpyridine-2-carboxamide
CID 58103059
N-[3-[4-[(1S)-1-cyclopropylethyl]-1,2,4-triazol-3-yl]phenyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
CID 58102998

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 66900294) is 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-c2cccnc2Nc2ccccc2)ccn1.
What is the InChIKey of 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is XIEDDYLHVVPBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c36-28(33-22-9-4-6-20(16-22)27-34-31-18-35(27)23-11-12-23)25-17-19(13-15-29-25)24-10-5-14-30-26(24)32-21-7-2-1-3-8-21/h1-10,13-18,23H,11-12H2,(H,30,32)(H,33,36).
What are the key properties of 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66900294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).