N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide

C19H25N3O — CID 110650746

IUPACN-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide
SMILESCCN(CC)c1ccc(NC(=O)CC(C)c2cccnc2)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)18-10-8-17(9-11-18)21-19(23)13-15(3)16-7-6-12-20-14-16/h6-12,14-15H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyLXBZQCQKFUYOHQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.06
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide

N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide (PubChem CID 110650746) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide
PubChem CID110650746
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide
SMILESCCN(CC)c1ccc(NC(=O)CC(C)c2cccnc2)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)18-10-8-17(9-11-18)21-19(23)13-15(3)16-7-6-12-20-14-16/h6-12,14-15H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyLXBZQCQKFUYOHQ-UHFFFAOYSA-N
XLogP4.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide
CID 110651095
N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
N-(2-methylpropyl)-3-pyridin-3-ylbutanamide
CID 110647374
4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 95195499
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110647997
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
CID 110650393
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide (CID 110650746) is N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide is CCN(CC)c1ccc(NC(=O)CC(C)c2cccnc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide?
The InChIKey is LXBZQCQKFUYOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-22(5-2)18-10-8-17(9-11-18)21-19(23)13-15(3)16-7-6-12-20-14-16/h6-12,14-15H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide?
N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 110650746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).