N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide

C18H21N3O2 — CID 4630518

IUPACN-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-4-5-17(22)20-15-8-6-14(7-9-15)18(23)21-16-12-13(2)10-11-19-16/h6-12H,3-5H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyCETFOZSWVSZYID-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.77
Rot. Bonds6

About N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide

N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide (PubChem CID 4630518) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide
PubChem CID4630518
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-4-5-17(22)20-15-8-6-14(7-9-15)18(23)21-16-12-13(2)10-11-19-16/h6-12H,3-5H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyCETFOZSWVSZYID-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
CID 3645447
N-(4-methylphenyl)pentanamide
CID 3662375
3-[[4-(octanoylamino)benzoyl]amino]-N-pyridin-2-ylbenzamide
CID 4913337
N-(3,5-dichlorophenyl)-4-(pentanoylamino)benzamide
CID 4630686
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723788
4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
CID 47245712

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide (CID 4630518) is N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide?
The InChIKey is CETFOZSWVSZYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-4-5-17(22)20-15-8-6-14(7-9-15)18(23)21-16-12-13(2)10-11-19-16/h6-12H,3-5H2,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide?
N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-(pentanoylamino)benzamide is sourced from PubChem (CID 4630518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).