N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide

C18H23N3O — CID 109023651

IUPACN-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
SMILESO=C(CCNCc1cccnc1)NCCCc1ccccc1
InChIInChI=1S/C18H23N3O/c22-18(10-13-20-15-17-9-4-11-19-14-17)21-12-5-8-16-6-2-1-3-7-16/h1-4,6-7,9,11,14,20H,5,8,10,12-13,15H2,(H,21,22)
InChIKeyDOLCNXGFCZQKRB-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.31
Rot. Bonds9

About N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide

N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide (PubChem CID 109023651) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
PubChem CID109023651
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
SMILESO=C(CCNCc1cccnc1)NCCCc1ccccc1
InChIInChI=1S/C18H23N3O/c22-18(10-13-20-15-17-9-4-11-19-14-17)21-12-5-8-16-6-2-1-3-7-16/h1-4,6-7,9,11,14,20H,5,8,10,12-13,15H2,(H,21,22)
InChIKeyDOLCNXGFCZQKRB-UHFFFAOYSA-N
XLogP2.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
N-[(2-methylphenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109019088
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
3-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 109021790
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide?
The IUPAC name of N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide (CID 109023651) is N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide?
The canonical SMILES for N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide is O=C(CCNCc1cccnc1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide?
The InChIKey is DOLCNXGFCZQKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(10-13-20-15-17-9-4-11-19-14-17)21-12-5-8-16-6-2-1-3-7-16/h1-4,6-7,9,11,14,20H,5,8,10,12-13,15H2,(H,21,22).
What are the key properties of N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide?
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide has a molecular weight of 297.40 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide is sourced from PubChem (CID 109023651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).