N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide

C22H24N4O — CID 93070931

IUPACN-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(Nc2ncc(-c3cccc(C)c3)cn2)c1
InChIInChI=1S/C22H24N4O/c1-4-16(3)25-21(27)18-9-6-10-20(12-18)26-22-23-13-19(14-24-22)17-8-5-7-15(2)11-17/h5-14,16H,4H2,1-3H3,(H,25,27)(H,23,24,26)/t16-/m1/s1
InChIKeyLBIPGRFMOLKSET-MRXNPFEDSA-N
MW360.46 g/mol
LogP4.72
Rot. Bonds6

About N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide

N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 93070931) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
PubChem CID93070931
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
SMILESCC[C@@H](C)NC(=O)c1cccc(Nc2ncc(-c3cccc(C)c3)cn2)c1
InChIInChI=1S/C22H24N4O/c1-4-16(3)25-21(27)18-9-6-10-20(12-18)26-22-23-13-19(14-24-22)17-8-5-7-15(2)11-17/h5-14,16H,4H2,1-3H3,(H,25,27)(H,23,24,26)/t16-/m1/s1
InChIKeyLBIPGRFMOLKSET-MRXNPFEDSA-N
XLogP4.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826639
N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide
CID 22587985
3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 50826661
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
CID 50826628
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzoic acid
CID 154791909
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826542
2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248979
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-3-(pyrimidin-2-ylamino)benzamide
CID 124841800
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381
methyl 3-[[5-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109152090

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide (CID 93070931) is N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide is CC[C@@H](C)NC(=O)c1cccc(Nc2ncc(-c3cccc(C)c3)cn2)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is LBIPGRFMOLKSET-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-16(3)25-21(27)18-9-6-10-20(12-18)26-22-23-13-19(14-24-22)17-8-5-7-15(2)11-17/h5-14,16H,4H2,1-3H3,(H,25,27)(H,23,24,26)/t16-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide?
N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 93070931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).