N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide

C21H27N3O3 — CID 67511647

IUPACN-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(NCC(=O)C(C)C)cc(C(=O)N[C@@H](C)CO)c2)nc1
InChIInChI=1S/C21H27N3O3/c1-13(2)20(26)11-22-18-8-16(19-6-5-14(3)10-23-19)7-17(9-18)21(27)24-15(4)12-25/h5-10,13,15,22,25H,11-12H2,1-4H3,(H,24,27)/t15-/m0/s1
InChIKeyZWGFDOBONDQUGJ-HNNXBMFYSA-N
MW369.47 g/mol
LogP2.80
Rot. Bonds8

About N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide

N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 67511647) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID67511647
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(NCC(=O)C(C)C)cc(C(=O)N[C@@H](C)CO)c2)nc1
InChIInChI=1S/C21H27N3O3/c1-13(2)20(26)11-22-18-8-16(19-6-5-14(3)10-23-19)7-17(9-18)21(27)24-15(4)12-25/h5-10,13,15,22,25H,11-12H2,1-4H3,(H,24,27)/t15-/m0/s1
InChIKeyZWGFDOBONDQUGJ-HNNXBMFYSA-N
XLogP2.80
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide with MolForge

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Related Compounds

N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
CID 75214758
3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45138255
3-(4-cyano-3-pyridinyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45138550
3-(4-cyano-3-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 75096326
3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 91300009
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76642993
3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 76601235
3-(5-chloro-2-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-[methyl(2-methylpropanoyl)amino]benzamide
CID 71616534
N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide
CID 59627775
3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
CID 69004377
3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 75095972
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide (CID 67511647) is N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2cc(NCC(=O)C(C)C)cc(C(=O)N[C@@H](C)CO)c2)nc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is ZWGFDOBONDQUGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(2)20(26)11-22-18-8-16(19-6-5-14(3)10-23-19)7-17(9-18)21(27)24-15(4)12-25/h5-10,13,15,22,25H,11-12H2,1-4H3,(H,24,27)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide?
N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 67511647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).