5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide

C14H21ClN4O — CID 62175962

IUPAC5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCC2CCCN(C)C2)cc1Cl
InChIInChI=1S/C14H21ClN4O/c1-16-13-12(15)6-11(8-17-13)14(20)18-7-10-4-3-5-19(2)9-10/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeySQXOKTCPQNGNGO-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.85
Rot. Bonds4

About 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide

5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 62175962) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID62175962
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCC2CCCN(C)C2)cc1Cl
InChIInChI=1S/C14H21ClN4O/c1-16-13-12(15)6-11(8-17-13)14(20)18-7-10-4-3-5-19(2)9-10/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,17)(H,18,20)
InChIKeySQXOKTCPQNGNGO-UHFFFAOYSA-N
XLogP1.85
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 62180970
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62167795
5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63834843
5-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 62166006
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222
6-amino-5-chloro-N-(cyclobutylmethyl)pyridine-3-carboxamide
CID 62155457
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
[5-chloro-6-(methylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418732
4-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243360
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide (CID 62175962) is 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide is CNc1ncc(C(=O)NCC2CCCN(C)C2)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SQXOKTCPQNGNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-16-13-12(15)6-11(8-17-13)14(20)18-7-10-4-3-5-19(2)9-10/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62175962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).