N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C20H24N4O2 — CID 67239550

IUPACN-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H24N4O2/c25-20(16-5-8-19(22-13-16)24-10-1-2-11-24)23-17-6-3-15(4-7-17)18-14-21-9-12-26-18/h3-8,13,18,21H,1-2,9-12,14H2,(H,23,25)
InChIKeyUWODRITUZJRKEG-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.60
Rot. Bonds4

About N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 67239550) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID67239550
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H24N4O2/c25-20(16-5-8-19(22-13-16)24-10-1-2-11-24)23-17-6-3-15(4-7-17)18-14-21-9-12-26-18/h3-8,13,18,21H,1-2,9-12,14H2,(H,23,25)
InChIKeyUWODRITUZJRKEG-UHFFFAOYSA-N
XLogP2.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Morniflumate
CID 72106
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
Nevirapin 4-substituted deriv. 4d
CID 464524
Nevirapin 4-substituted deriv. 4e
CID 464525
Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10550225
Ethyl 4-({[(3-methyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 331787
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2544910
(S)-benzyl 4-(5-(2-aminophenylcarbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16066811
(R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16662634
(2S,5R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 16662687
Benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,2-dimethylpiperazine-1-carboxylate
CID 16662806

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 67239550) is N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is UWODRITUZJRKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20(16-5-8-19(22-13-16)24-10-1-2-11-24)23-17-6-3-15(4-7-17)18-14-21-9-12-26-18/h3-8,13,18,21H,1-2,9-12,14H2,(H,23,25).
What are the key properties of N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 67239550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).