3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C21H25N5O2 — CID 83273802

IUPAC3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NCc3ccc(OC)cc3)C2)nc2ccncc21
InChIInChI=1S/C21H25N5O2/c1-3-26-19-13-22-10-8-18(19)24-20(26)16-9-11-25(14-16)21(27)23-12-15-4-6-17(28-2)7-5-15/h4-8,10,13,16H,3,9,11-12,14H2,1-2H3,(H,23,27)
InChIKeyNESFHOQZEOPRTN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.16
Rot. Bonds5

About 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 83273802) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID83273802
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NCc3ccc(OC)cc3)C2)nc2ccncc21
InChIInChI=1S/C21H25N5O2/c1-3-26-19-13-22-10-8-18(19)24-20(26)16-9-11-25(14-16)21(27)23-12-15-4-6-17(28-2)7-5-15/h4-8,10,13,16H,3,9,11-12,14H2,1-2H3,(H,23,27)
InChIKeyNESFHOQZEOPRTN-UHFFFAOYSA-N
XLogP3.16
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-1-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83275837
N-[(3-fluorophenyl)methyl]-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
CID 53194824
3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95112570
1-[3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 83272601
1-[(3S)-3-(3-ethylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 97429398
(4-methoxyphenyl)-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 97429291
(3R)-N-(3-methoxyphenyl)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 97429379
2-(3-methoxyphenyl)-1-[(3R)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 95112565
(2R)-1-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 97429635
3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122256474
(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 95112501
3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 70756726

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 83273802) is 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is CCn1c(C2CCN(C(=O)NCc3ccc(OC)cc3)C2)nc2ccncc21.
What is the InChIKey of 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is NESFHOQZEOPRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-26-19-13-22-10-8-18(19)24-20(26)16-9-11-25(14-16)21(27)23-12-15-4-6-17(28-2)7-5-15/h4-8,10,13,16H,3,9,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimidazo[4,5-c]pyridin-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 83273802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).