N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide

C12H18N4O — CID 53185412

IUPACN-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C12H18N4O/c1-2-14-12(17)16-7-5-11(9-16)15-10-4-3-6-13-8-10/h3-4,6,8,11,15H,2,5,7,9H2,1H3,(H,14,17)
InChIKeyCKDSKKIWODHADK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds3

About N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide

N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide (PubChem CID 53185412) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
PubChem CID53185412
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C12H18N4O/c1-2-14-12(17)16-7-5-11(9-16)15-10-4-3-6-13-8-10/h3-4,6,8,11,15H,2,5,7,9H2,1H3,(H,14,17)
InChIKeyCKDSKKIWODHADK-UHFFFAOYSA-N
XLogP1.30
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185419
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411
(1-phenylcyclopropyl)-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185393
3-(1H-indol-3-yl)-1-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 53185359
N-cyclopropylpyridin-3-amine
CID 11297993

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide (CID 53185412) is N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(Nc2cccnc2)C1.
What is the InChIKey of N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
The InChIKey is CKDSKKIWODHADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-14-12(17)16-7-5-11(9-16)15-10-4-3-6-13-8-10/h3-4,6,8,11,15H,2,5,7,9H2,1H3,(H,14,17).
What are the key properties of N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53185412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).