N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide

C24H19N7O — CID 44570853

IUPACN-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESN#Cc1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1
InChIInChI=1S/C24H19N7O/c25-13-19-10-9-18(15-28-19)21-11-12-27-24(31-21)29-14-16-5-7-17(8-6-16)23(32)30-22-4-2-1-3-20(22)26/h1-12,15H,14,26H2,(H,30,32)(H,27,29,31)
InChIKeyLEXDNRITRWDWDN-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.86
Rot. Bonds6

About N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide

N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide (PubChem CID 44570853) has the molecular formula C24H19N7O and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide
PubChem CID44570853
Molecular FormulaC24H19N7O
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC NameN-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESN#Cc1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1
InChIInChI=1S/C24H19N7O/c25-13-19-10-9-18(15-28-19)21-11-12-27-24(31-21)29-14-16-5-7-17(8-6-16)23(32)30-22-4-2-1-3-20(22)26/h1-12,15H,14,26H2,(H,30,32)(H,27,29,31)
InChIKeyLEXDNRITRWDWDN-UHFFFAOYSA-N
XLogP3.86
TPSA129.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide;methane;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 160960136
N-(2-aminophenyl)-4-[[[4-[3-[2-(dimethylamino)ethoxy]phenyl]pyrimidin-2-yl]amino]methyl]benzamide
CID 44570975
5-[2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methylamino]pyrimidin-4-yl]-N-[(dimethylamino)methyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 58930578
N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
CID 58930542
2-(2-aminophenyl)-1-[4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]phenyl]ethanone
CID 58102011
N-(2-aminophenyl)-4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]benzamide
CID 22478674
N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 158055294
N-(2-amino-4-methylphenyl)-4-[[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
CID 72705687
4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
CID 22142690
N-(2-aminophenyl)-4-[[[4-chloro-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]methyl]benzamide
CID 20786083
N-(2-aminophenyl)-4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]-sulfanylmethyl]benzamide
CID 87078482
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide (CID 44570853) is N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide is N#Cc1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1.
What is the InChIKey of N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide?
The InChIKey is LEXDNRITRWDWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O/c25-13-19-10-9-18(15-28-19)21-11-12-27-24(31-21)29-14-16-5-7-17(8-6-16)23(32)30-22-4-2-1-3-20(22)26/h1-12,15H,14,26H2,(H,30,32)(H,27,29,31).
What are the key properties of N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide has a molecular weight of 421.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[[4-(6-cyano-3-pyridinyl)pyrimidin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 44570853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).