N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide

C18H21N3O2 — CID 113035034

IUPACN-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)nc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)10-18(23)21-17-9-8-16(11-19-17)20-15-6-4-14(5-7-15)13(3)22/h4-9,11-12,20H,10H2,1-3H3,(H,19,21,23)
InChIKeyRECUWKAPBQCHRP-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.01
Rot. Bonds6

About N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide

N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide (PubChem CID 113035034) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
PubChem CID113035034
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)nc2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(2)10-18(23)21-17-9-8-16(11-19-17)20-15-6-4-14(5-7-15)13(3)22/h4-9,11-12,20H,10H2,1-3H3,(H,19,21,23)
InChIKeyRECUWKAPBQCHRP-UHFFFAOYSA-N
XLogP4.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755
N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113032476
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113049126
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113033611
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181147
N-[5-(4-acetylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113035088
3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113027627
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide (CID 113035034) is N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide is CC(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)nc2)cc1.
What is the InChIKey of N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide?
The InChIKey is RECUWKAPBQCHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)10-18(23)21-17-9-8-16(11-19-17)20-15-6-4-14(5-7-15)13(3)22/h4-9,11-12,20H,10H2,1-3H3,(H,19,21,23).
What are the key properties of N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide?
N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide has a molecular weight of 311.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113035034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).