N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide

C20H25N3O2 — CID 20973836

IUPACN-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1cccnc1-c1ccc(C(=O)NCCC(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-4-18(24)23-17-6-5-12-21-19(17)15-7-9-16(10-8-15)20(25)22-13-11-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDLLWMGNLYOCUMJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.87
Rot. Bonds7

About N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide

N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide (PubChem CID 20973836) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
PubChem CID20973836
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1cccnc1-c1ccc(C(=O)NCCC(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-4-18(24)23-17-6-5-12-21-19(17)15-7-9-16(10-8-15)20(25)22-13-11-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyDLLWMGNLYOCUMJ-UHFFFAOYSA-N
XLogP3.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
CID 50829827
N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
CID 46386341
4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
CID 59673494
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109263486
N-(2-amino-3-pyridinyl)propanamide
CID 174521549
N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
CID 53021164
4-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 72699526
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
4-(3-acetamido-2-pyridinyl)-N-(3-chlorophenyl)benzamide
CID 46386362
4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 46386365

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide?
The IUPAC name of N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide (CID 20973836) is N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide is CCC(=O)Nc1cccnc1-c1ccc(C(=O)NCCC(C)C)cc1.
What is the InChIKey of N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide?
The InChIKey is DLLWMGNLYOCUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-18(24)23-17-6-5-12-21-19(17)15-7-9-16(10-8-15)20(25)22-13-11-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide?
N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 20973836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).