3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide

C12H16ClN3O — CID 66484559

IUPAC3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCCCN1)c1ccncc1Cl
InChIInChI=1S/C12H16ClN3O/c13-11-8-14-6-4-10(11)12(17)16-7-9-3-1-2-5-15-9/h4,6,8-9,15H,1-3,5,7H2,(H,16,17)
InChIKeyGDMJLZDKSAZKBQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.61
Rot. Bonds3

About 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide

3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 66484559) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID66484559
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCCCN1)c1ccncc1Cl
InChIInChI=1S/C12H16ClN3O/c13-11-8-14-6-4-10(11)12(17)16-7-9-3-1-2-5-15-9/h4,6,8-9,15H,1-3,5,7H2,(H,16,17)
InChIKeyGDMJLZDKSAZKBQ-UHFFFAOYSA-N
XLogP1.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
3-chloro-2-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107098061
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458
N-[(4-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106134901
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106609608
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide (CID 66484559) is 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide is O=C(NCC1CCCCN1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is GDMJLZDKSAZKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-11-8-14-6-4-10(11)12(17)16-7-9-3-1-2-5-15-9/h4,6,8-9,15H,1-3,5,7H2,(H,16,17).
What are the key properties of 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide?
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 66484559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).