N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide

C22H23N3O — CID 109174859

IUPACN-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(NCCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-25(20-12-6-3-7-13-20)22(26)19-14-16-24-21(17-19)23-15-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-14,16-17H,8,11,15H2,1H3,(H,23,24)
InChIKeyUBTDAEQMUWOLTH-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.40
Rot. Bonds7

About N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide

N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide (PubChem CID 109174859) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
PubChem CID109174859
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(NCCCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-25(20-12-6-3-7-13-20)22(26)19-14-16-24-21(17-19)23-15-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-14,16-17H,8,11,15H2,1H3,(H,23,24)
InChIKeyUBTDAEQMUWOLTH-UHFFFAOYSA-N
XLogP4.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.40
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-ethyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174862
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109173399
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169044
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62175245
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
2-(1,3-benzodioxol-5-ylmethylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109171446
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide (CID 109174859) is N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide is CN(C(=O)c1ccnc(NCCCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
The InChIKey is UBTDAEQMUWOLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-25(20-12-6-3-7-13-20)22(26)19-14-16-24-21(17-19)23-15-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-14,16-17H,8,11,15H2,1H3,(H,23,24).
What are the key properties of N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide?
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109174859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).