N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide

C21H21N5O2 — CID 167986727

IUPACN-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C21H21N5O2/c1-22-20(28)18(14-15-6-3-2-4-7-15)26-19(27)16-8-10-17(11-9-16)25-21-23-12-5-13-24-21/h2-13,18H,14H2,1H3,(H,22,28)(H,26,27)(H,23,24,25)
InChIKeyRSVKUQNTMMDSHT-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.31
Rot. Bonds7

About N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide

N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide (PubChem CID 167986727) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide
PubChem CID167986727
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C21H21N5O2/c1-22-20(28)18(14-15-6-3-2-4-7-15)26-19(27)16-8-10-17(11-9-16)25-21-23-12-5-13-24-21/h2-13,18H,14H2,1H3,(H,22,28)(H,26,27)(H,23,24,25)
InChIKeyRSVKUQNTMMDSHT-UHFFFAOYSA-N
XLogP2.31
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[4-(pyrimidin-2-ylamino)phenyl]propanoic acid
CID 82514047
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 42695951
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[4-(propylamino)benzoyl]amino]propanoyl]amino]propanoic acid
CID 174522397
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438
bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide (CID 167986727) is N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide is CNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Nc2ncccn2)cc1.
What is the InChIKey of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide?
The InChIKey is RSVKUQNTMMDSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-22-20(28)18(14-15-6-3-2-4-7-15)26-19(27)16-8-10-17(11-9-16)25-21-23-12-5-13-24-21/h2-13,18H,14H2,1H3,(H,22,28)(H,26,27)(H,23,24,25).
What are the key properties of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide?
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide has a molecular weight of 375.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 167986727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).