N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide

C16H19N3O3 — CID 126454227

IUPACN-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide
SMILESCCc1cnc(-c2ccc(C(=O)NC[C@@H](O)CO)cc2)nc1
InChIInChI=1S/C16H19N3O3/c1-2-11-7-17-15(18-8-11)12-3-5-13(6-4-12)16(22)19-9-14(21)10-20/h3-8,14,20-21H,2,9-10H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyKNDMKKMPCZXAKM-CQSZACIVSA-N
MW301.35 g/mol
LogP0.79
Rot. Bonds6

About N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide

N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide (PubChem CID 126454227) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide
PubChem CID126454227
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide
SMILESCCc1cnc(-c2ccc(C(=O)NC[C@@H](O)CO)cc2)nc1
InChIInChI=1S/C16H19N3O3/c1-2-11-7-17-15(18-8-11)12-3-5-13(6-4-12)16(22)19-9-14(21)10-20/h3-8,14,20-21H,2,9-10H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyKNDMKKMPCZXAKM-CQSZACIVSA-N
XLogP0.79
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
6-[[bis[[5-[[(2S)-2,3-dihydroxypropyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
CID 167019978
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;ethane
CID 153358045
N-(2,3-dihydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 66176023
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
3-[4-[[(2R)-2,3-dihydroxypropyl]carbamoyl]phenyl]-1-sulfamoylpyrrole-2-carboxylic acid
CID 166591578

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide (CID 126454227) is N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide is CCc1cnc(-c2ccc(C(=O)NC[C@@H](O)CO)cc2)nc1.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide?
The InChIKey is KNDMKKMPCZXAKM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-11-7-17-15(18-8-11)12-3-5-13(6-4-12)16(22)19-9-14(21)10-20/h3-8,14,20-21H,2,9-10H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide?
N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide has a molecular weight of 301.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-4-(5-ethylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 126454227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).