3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide

C19H18N4O — CID 157042720

IUPAC3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
SMILESCc1cc(Nc2cccc(NC(=O)c3cccc(N)c3)c2)ccn1
InChIInChI=1S/C19H18N4O/c1-13-10-18(8-9-21-13)22-16-6-3-7-17(12-16)23-19(24)14-4-2-5-15(20)11-14/h2-12H,20H2,1H3,(H,21,22)(H,23,24)
InChIKeyOSANWDGOVGRYFC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.97
Rot. Bonds4

About 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide

3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide (PubChem CID 157042720) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
PubChem CID157042720
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
SMILESCc1cc(Nc2cccc(NC(=O)c3cccc(N)c3)c2)ccn1
InChIInChI=1S/C19H18N4O/c1-13-10-18(8-9-21-13)22-16-6-3-7-17(12-16)23-19(24)14-4-2-5-15(20)11-14/h2-12H,20H2,1H3,(H,21,22)(H,23,24)
InChIKeyOSANWDGOVGRYFC-UHFFFAOYSA-N
XLogP3.97
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.97
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

3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide
CID 157042984
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157044269
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
CID 106752978
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
CID 170002489
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
4-[(2-methyl-4-pyridinyl)amino]benzamide
CID 90134463
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide?
The IUPAC name of 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide (CID 157042720) is 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide?
The canonical SMILES for 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide is Cc1cc(Nc2cccc(NC(=O)c3cccc(N)c3)c2)ccn1.
What is the InChIKey of 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide?
The InChIKey is OSANWDGOVGRYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-10-18(8-9-21-13)22-16-6-3-7-17(12-16)23-19(24)14-4-2-5-15(20)11-14/h2-12H,20H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide?
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide is sourced from PubChem (CID 157042720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).