1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one

C18H22N2O — CID 115939016

IUPAC1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one
SMILESCCCCN(c1ccccc1)c1ccc(C(=O)CC)nc1
InChIInChI=1S/C18H22N2O/c1-3-5-13-20(15-9-7-6-8-10-15)16-11-12-17(19-14-16)18(21)4-2/h6-12,14H,3-5,13H2,1-2H3
InChIKeyHMLGWJJQYWQCOC-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.61
Rot. Bonds7

About 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one

1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one (PubChem CID 115939016) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one
PubChem CID115939016
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one
SMILESCCCCN(c1ccccc1)c1ccc(C(=O)CC)nc1
InChIInChI=1S/C18H22N2O/c1-3-5-13-20(15-9-7-6-8-10-15)16-11-12-17(19-14-16)18(21)4-2/h6-12,14H,3-5,13H2,1-2H3
InChIKeyHMLGWJJQYWQCOC-UHFFFAOYSA-N
XLogP4.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
5-(N-butylanilino)pyridine-2-carbonitrile
CID 115487727
6-[(1R)-1-aminopropyl]-N-butyl-N-phenylpyridin-3-amine
CID 103937433
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
3-(N-butylanilino)pyrazine-2-carboxylic acid
CID 64584671
1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938973
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
butane;N-octyl-N-phenylaniline
CID 175431375
5-(N-ethylanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194856
1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
CID 112583933
2-(N-butylanilino)benzoic acid
CID 64586364

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one (CID 115939016) is 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one is CCCCN(c1ccccc1)c1ccc(C(=O)CC)nc1.
What is the InChIKey of 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one?
The InChIKey is HMLGWJJQYWQCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-5-13-20(15-9-7-6-8-10-15)16-11-12-17(19-14-16)18(21)4-2/h6-12,14H,3-5,13H2,1-2H3.
What are the key properties of 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one?
1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one has a molecular weight of 282.39 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N-butylanilino)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 115939016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).