N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide

C29H24N6O — CID 89064619

IUPACN-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide
SMILESC=C(/N=C(/Nc1ccc2[nH]ncc2c1)c1ccccc1C)c1ccccc1NC(=O)c1ccccn1
InChIInChI=1S/C29H24N6O/c1-19-9-3-4-10-23(19)28(33-22-14-15-25-21(17-22)18-31-35-25)32-20(2)24-11-5-6-12-26(24)34-29(36)27-13-7-8-16-30-27/h3-18H,2H2,1H3,(H,31,35)(H,32,33)(H,34,36)
InChIKeyUYDUWQBNDDMZMV-UHFFFAOYSA-N
MW472.55 g/mol
LogP6.05
Rot. Bonds6

About N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide

N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide (PubChem CID 89064619) has the molecular formula C29H24N6O and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide
PubChem CID89064619
Molecular FormulaC29H24N6O
Molecular Weight472.55 g/mol
Exact Mass472.20
IUPAC NameN-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide
SMILESC=C(/N=C(/Nc1ccc2[nH]ncc2c1)c1ccccc1C)c1ccccc1NC(=O)c1ccccn1
InChIInChI=1S/C29H24N6O/c1-19-9-3-4-10-23(19)28(33-22-14-15-25-21(17-22)18-31-35-25)32-20(2)24-11-5-6-12-26(24)34-29(36)27-13-7-8-16-30-27/h3-18H,2H2,1H3,(H,31,35)(H,32,33)(H,34,36)
InChIKeyUYDUWQBNDDMZMV-UHFFFAOYSA-N
XLogP6.05
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide (CID 89064619) is N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide is C=C(/N=C(/Nc1ccc2[nH]ncc2c1)c1ccccc1C)c1ccccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide?
The InChIKey is UYDUWQBNDDMZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O/c1-19-9-3-4-10-23(19)28(33-22-14-15-25-21(17-22)18-31-35-25)32-20(2)24-11-5-6-12-26(24)34-29(36)27-13-7-8-16-30-27/h3-18H,2H2,1H3,(H,31,35)(H,32,33)(H,34,36).
What are the key properties of N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide?
N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 6.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[(1H-indazol-5-ylamino)-(2-methylphenyl)methylidene]amino]ethenyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 89064619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).