N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide

C21H23N3O2 — CID 71840926

IUPACN-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C21H23N3O2/c1-3-12-24-15-18(17-8-10-22-11-9-17)13-20(24)21(25)23-14-16-4-6-19(26-2)7-5-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,23,25)
InChIKeyHMDPFGNBRMLQLL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.90
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide

N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 71840926) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID71840926
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C21H23N3O2/c1-3-12-24-15-18(17-8-10-22-11-9-17)13-20(24)21(25)23-14-16-4-6-19(26-2)7-5-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,23,25)
InChIKeyHMDPFGNBRMLQLL-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159829
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159824
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851660
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
(4-methylpiperazin-1-yl)-(1-propyl-4-pyridin-4-ylpyrrol-2-yl)methanone
CID 71840944

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide (CID 71840926) is N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide is CCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is HMDPFGNBRMLQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-12-24-15-18(17-8-10-22-11-9-17)13-20(24)21(25)23-14-16-4-6-19(26-2)7-5-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,23,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 71840926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).