3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide

C11H14ClN3O — CID 80564619

IUPAC3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCNC1)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3O/c12-10-7-14-4-2-9(10)11(16)15-6-8-1-3-13-5-8/h2,4,7-8,13H,1,3,5-6H2,(H,15,16)
InChIKeyJEKMVRFTQAUDNY-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.07
Rot. Bonds3

About 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide

3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 80564619) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID80564619
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCNC1)c1ccncc1Cl
InChIInChI=1S/C11H14ClN3O/c12-10-7-14-4-2-9(10)11(16)15-6-8-1-3-13-5-8/h2,4,7-8,13H,1,3,5-6H2,(H,15,16)
InChIKeyJEKMVRFTQAUDNY-UHFFFAOYSA-N
XLogP1.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
N-[(4-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106134901
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 66484559
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458
N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide (CID 80564619) is 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide is O=C(NCC1CCNC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is JEKMVRFTQAUDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-10-7-14-4-2-9(10)11(16)15-6-8-1-3-13-5-8/h2,4,7-8,13H,1,3,5-6H2,(H,15,16).
What are the key properties of 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide?
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 80564619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).