N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide

C17H21N3O — CID 60704743

IUPACN,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCCCc2ccccc2)ccn1
InChIInChI=1S/C17H21N3O/c1-20(2)17(21)16-13-15(10-12-19-16)18-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,18,19)
InChIKeyQEZHXRSCYODFAV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.83
Rot. Bonds6

About N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide

N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 60704743) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID60704743
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCCCc2ccccc2)ccn1
InChIInChI=1S/C17H21N3O/c1-20(2)17(21)16-13-15(10-12-19-16)18-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,18,19)
InChIKeyQEZHXRSCYODFAV-UHFFFAOYSA-N
XLogP2.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213670
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109214999
N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213681
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
N,N-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carboxamide
CID 60703987
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide (CID 60704743) is N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide is CN(C)C(=O)c1cc(NCCCc2ccccc2)ccn1.
What is the InChIKey of N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is QEZHXRSCYODFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(2)17(21)16-13-15(10-12-19-16)18-11-6-9-14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,9,11H2,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide?
N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 60704743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).