4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide

C18H16N4O — CID 155404523

IUPAC4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(Nc3ccncc3)c2)cc1
InChIInChI=1S/C18H16N4O/c19-14-6-4-13(5-7-14)18(23)22-17-3-1-2-16(12-17)21-15-8-10-20-11-9-15/h1-12H,19H2,(H,20,21)(H,22,23)
InChIKeyBHZKZZMMSMPRPZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.66
Rot. Bonds4

About 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide

4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide (PubChem CID 155404523) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
PubChem CID155404523
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(Nc3ccncc3)c2)cc1
InChIInChI=1S/C18H16N4O/c19-14-6-4-13(5-7-14)18(23)22-17-3-1-2-16(12-17)21-15-8-10-20-11-9-15/h1-12H,19H2,(H,20,21)(H,22,23)
InChIKeyBHZKZZMMSMPRPZ-UHFFFAOYSA-N
XLogP3.66
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 59457943
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701
N-[3-[[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 170229383
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
4-[(7-aminoquinolin-4-yl)amino]-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 24857954
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
4-amino-N-[3-(1H-imidazol-2-yl)phenyl]benzamide
CID 110474517
4-amino-N-[3-[[2-cyano-3-(trifluoromethyl)-4-pyridinyl]amino]phenyl]benzamide
CID 170228786
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The IUPAC name of 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide (CID 155404523) is 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide is Nc1ccc(C(=O)Nc2cccc(Nc3ccncc3)c2)cc1.
What is the InChIKey of 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
The InChIKey is BHZKZZMMSMPRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-14-6-4-13(5-7-14)18(23)22-17-3-1-2-16(12-17)21-15-8-10-20-11-9-15/h1-12H,19H2,(H,20,21)(H,22,23).
What are the key properties of 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide?
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide has a molecular weight of 304.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide is sourced from PubChem (CID 155404523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).