N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

C30H25N5O — CID 67214313

IUPACN-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C30H25N5O/c1-21-14-15-24(19-27(21)34-30-32-18-16-26(33-30)25-13-8-17-31-20-25)29(36)35-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-20,28H,1H3,(H,35,36)(H,32,33,34)
InChIKeyDTIPLMDTANTHKF-UHFFFAOYSA-N
MW471.56 g/mol
LogP6.11
Rot. Bonds7

About N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 67214313) has the molecular formula C30H25N5O and a molecular weight of 471.56 g/mol. Its IUPAC name is N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID67214313
Molecular FormulaC30H25N5O
Molecular Weight471.56 g/mol
Exact Mass471.21
IUPAC NameN-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C30H25N5O/c1-21-14-15-24(19-27(21)34-30-32-18-16-26(33-30)25-13-8-17-31-20-25)29(36)35-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-20,28H,1H3,(H,35,36)(H,32,33,34)
InChIKeyDTIPLMDTANTHKF-UHFFFAOYSA-N
XLogP6.11
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butan-1-one
CID 90891668
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
4-methyl-N-[3-(2-methylanilino)propyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214275
N-(2-ethoxyethyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214311
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 11361652
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
N-[4-[2-(dimethylamino)ethyl]phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 155689093
N-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 71304469
ethyl 2-[benzyl-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoyl]amino]acetate
CID 67214048
4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide
CID 173130052
4-methyl-3-(prop-2-enoylamino)-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 71664306
4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214555

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CID 67214313) is N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is DTIPLMDTANTHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O/c1-21-14-15-24(19-27(21)34-30-32-18-16-26(33-30)25-13-8-17-31-20-25)29(36)35-28(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-20,28H,1H3,(H,35,36)(H,32,33,34).
What are the key properties of N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 471.56 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 67214313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).