N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide

C21H27N3O2 — CID 122564033

IUPACN-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide
SMILESCCCC(NC(=O)c1ccc(-c2cc(C)c(C)c(C)n2)cc1)C(=O)NC
InChIInChI=1S/C21H27N3O2/c1-6-7-18(21(26)22-5)24-20(25)17-10-8-16(9-11-17)19-12-13(2)14(3)15(4)23-19/h8-12,18H,6-7H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyXUYNESAPRFJDFU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.32
Rot. Bonds6

About N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide

N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide (PubChem CID 122564033) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide
PubChem CID122564033
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide
SMILESCCCC(NC(=O)c1ccc(-c2cc(C)c(C)c(C)n2)cc1)C(=O)NC
InChIInChI=1S/C21H27N3O2/c1-6-7-18(21(26)22-5)24-20(25)17-10-8-16(9-11-17)19-12-13(2)14(3)15(4)23-19/h8-12,18H,6-7H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyXUYNESAPRFJDFU-UHFFFAOYSA-N
XLogP3.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 125440072
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
2-(4-chlorophenyl)-N-[(2S)-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 58505492
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-(1,3-thiazol-4-yl)benzamide
CID 71856841
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
CID 11574190
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
CID 167844025
8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 99926856
4-methyl-N-(2-oxodecan-3-yl)benzamide
CID 174640324
4-(2-acetyl-5-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxobutan-2-yl]benzamide
CID 126434435

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide?
The IUPAC name of N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide (CID 122564033) is N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide?
The canonical SMILES for N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide is CCCC(NC(=O)c1ccc(-c2cc(C)c(C)c(C)n2)cc1)C(=O)NC.
What is the InChIKey of N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide?
The InChIKey is XUYNESAPRFJDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-6-7-18(21(26)22-5)24-20(25)17-10-8-16(9-11-17)19-12-13(2)14(3)15(4)23-19/h8-12,18H,6-7H2,1-5H3,(H,22,26)(H,24,25).
What are the key properties of N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide?
N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide is sourced from PubChem (CID 122564033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).