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

C18H23N3O — CID 113032476

IUPACN-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
SMILESCCc1ccc(Nc2ccc(NC(=O)CC(C)C)nc2)cc1
InChIInChI=1S/C18H23N3O/c1-4-14-5-7-15(8-6-14)20-16-9-10-17(19-12-16)21-18(22)11-13(2)3/h5-10,12-13,20H,4,11H2,1-3H3,(H,19,21,22)
InChIKeySHXFBUOEEGCXDO-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.37
Rot. Bonds6

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

N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide (PubChem CID 113032476) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
PubChem CID113032476
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
SMILESCCc1ccc(Nc2ccc(NC(=O)CC(C)C)nc2)cc1
InChIInChI=1S/C18H23N3O/c1-4-14-5-7-15(8-6-14)20-16-9-10-17(19-12-16)21-18(22)11-13(2)3/h5-10,12-13,20H,4,11H2,1-3H3,(H,19,21,22)
InChIKeySHXFBUOEEGCXDO-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755
N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113035034
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113033611
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821
N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
N-[5-(4-methylanilino)-2-pyridinyl]propanamide
CID 113031521
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445
3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide (CID 113032476) is N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide is CCc1ccc(Nc2ccc(NC(=O)CC(C)C)nc2)cc1.
What is the InChIKey of N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide?
The InChIKey is SHXFBUOEEGCXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-14-5-7-15(8-6-14)20-16-9-10-17(19-12-16)21-18(22)11-13(2)3/h5-10,12-13,20H,4,11H2,1-3H3,(H,19,21,22).
What are the key properties of N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide?
N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113032476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).