N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C24H23N7O — CID 142361920

IUPACN-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESCc1cccc(/C(N)=C/N(N)c2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)c1
InChIInChI=1S/C24H23N7O/c1-16-5-2-6-17(13-16)20(25)15-31(26)19-8-3-7-18(14-19)28-24(32)23-10-4-9-21(29-23)22-11-12-27-30-22/h2-15H,25-26H2,1H3,(H,27,30)(H,28,32)/b20-15-
InChIKeyYPYCAQDTIQUWGQ-HKWRFOASSA-N
MW425.50 g/mol
LogP3.67
Rot. Bonds6

About N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 142361920) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
PubChem CID142361920
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC NameN-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESCc1cccc(/C(N)=C/N(N)c2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)c1
InChIInChI=1S/C24H23N7O/c1-16-5-2-6-17(13-16)20(25)15-31(26)19-8-3-7-18(14-19)28-24(32)23-10-4-9-21(29-23)22-11-12-27-30-22/h2-15H,25-26H2,1H3,(H,27,30)(H,28,32)/b20-15-
InChIKeyYPYCAQDTIQUWGQ-HKWRFOASSA-N
XLogP3.67
TPSA125.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 167310947
N-[3-[amino-[(Z)-2-amino-2-(1-prop-2-enoylpiperidin-4-yl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 142361941
N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;hydrochloride
CID 131704491
N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557557
N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide
CID 142361942
(3S)-N-[4-[amino-[(Z)-2-amino-2-[6-(1H-pyrazol-5-yl)-2-pyridinyl]ethenyl]amino]phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 174163276
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318199
N-(3-methylphenyl)pyridazine-3-carboxamide
CID 23633019
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557540

Frequently Asked Questions

What is the IUPAC name of N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 142361920) is N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is Cc1cccc(/C(N)=C/N(N)c2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)c1.
What is the InChIKey of N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is YPYCAQDTIQUWGQ-HKWRFOASSA-N. The full InChI is InChI=1S/C24H23N7O/c1-16-5-2-6-17(13-16)20(25)15-31(26)19-8-3-7-18(14-19)28-24(32)23-10-4-9-21(29-23)22-11-12-27-30-22/h2-15H,25-26H2,1H3,(H,27,30)(H,28,32)/b20-15-.
What are the key properties of N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[amino-[(Z)-2-amino-2-(3-methylphenyl)ethenyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 142361920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).