N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide

C21H21N3O2 — CID 110361132

IUPACN-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccnc2)Cc2cccnc2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-20-8-6-17(7-9-20)19(12-16-4-2-10-22-13-16)15-24-21(25)18-5-3-11-23-14-18/h2-11,13-14,19H,12,15H2,1H3,(H,24,25)
InChIKeyOGCUCZPMNJJPLM-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.24
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide

N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide (PubChem CID 110361132) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide
PubChem CID110361132
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cccnc2)Cc2cccnc2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-20-8-6-17(7-9-20)19(12-16-4-2-10-22-13-16)15-24-21(25)18-5-3-11-23-14-18/h2-11,13-14,19H,12,15H2,1H3,(H,24,25)
InChIKeyOGCUCZPMNJJPLM-UHFFFAOYSA-N
XLogP3.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate
CID 110361056
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361050
N-[(2S)-2-(3-methoxyphenyl)-3-phenylpropyl]benzamide
CID 11110747
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide (CID 110361132) is N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide is COc1ccc(C(CNC(=O)c2cccnc2)Cc2cccnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide?
The InChIKey is OGCUCZPMNJJPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-20-8-6-17(7-9-20)19(12-16-4-2-10-22-13-16)15-24-21(25)18-5-3-11-23-14-18/h2-11,13-14,19H,12,15H2,1H3,(H,24,25).
What are the key properties of N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 110361132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).