4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide

C14H20ClN3O — CID 113364713

IUPAC4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCC(C)(CNC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C14H20ClN3O/c1-14(4-7-18(2)8-5-14)10-17-13(19)12-9-11(15)3-6-16-12/h3,6,9H,4-5,7-8,10H2,1-2H3,(H,17,19)
InChIKeyNXJXDNGDLCOFAE-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.20
Rot. Bonds3

About 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide

4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 113364713) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
PubChem CID113364713
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCC(C)(CNC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C14H20ClN3O/c1-14(4-7-18(2)8-5-14)10-17-13(19)12-9-11(15)3-6-16-12/h3,6,9H,4-5,7-8,10H2,1-2H3,(H,17,19)
InChIKeyNXJXDNGDLCOFAE-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 107165125
4-chloro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 9205834
4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751793
4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide
CID 136524945
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide
CID 113364724
5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 107164989
1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440851
4-chloro-N-[2-[[1-(dimethylamino)cycloheptyl]methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 24647121
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875
2-(1-aminoethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 107163944
4-carbamothioyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107164094

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide (CID 113364713) is 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide is CN1CCC(C)(CNC(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is NXJXDNGDLCOFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-14(4-7-18(2)8-5-14)10-17-13(19)12-9-11(15)3-6-16-12/h3,6,9H,4-5,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 113364713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).