2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide

C17H20ClN3O — CID 166355511

IUPAC2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide
SMILESCCC(C(=O)Nc1cnccc1N(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O/c1-4-14(12-6-5-7-13(18)10-12)17(22)20-15-11-19-9-8-16(15)21(2)3/h5-11,14H,4H2,1-3H3,(H,20,22)
InChIKeyLRUCTQKUTPSFLS-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.93
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide

2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide (PubChem CID 166355511) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide
PubChem CID166355511
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide
SMILESCCC(C(=O)Nc1cnccc1N(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O/c1-4-14(12-6-5-7-13(18)10-12)17(22)20-15-11-19-9-8-16(15)21(2)3/h5-11,14H,4H2,1-3H3,(H,20,22)
InChIKeyLRUCTQKUTPSFLS-UHFFFAOYSA-N
XLogP3.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide
CID 167930241
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618
6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 55052253
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 78984805
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76893750
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928632
3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678667
N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 50985949
4-chloro-2-[[(2S)-2-phenylbutanoyl]amino]benzoic acid
CID 2204406
N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
CID 107675571
N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide
CID 81272164
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide
CID 105069956

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide (CID 166355511) is 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide is CCC(C(=O)Nc1cnccc1N(C)C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide?
The InChIKey is LRUCTQKUTPSFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-4-14(12-6-5-7-13(18)10-12)17(22)20-15-11-19-9-8-16(15)21(2)3/h5-11,14H,4H2,1-3H3,(H,20,22).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide?
2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide has a molecular weight of 317.82 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide is sourced from PubChem (CID 166355511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).