4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide

C12H16ClN3O — CID 82843411

IUPAC4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NN2CCCCC2)cn1
InChIInChI=1S/C12H16ClN3O/c1-9-7-11(13)10(8-14-9)12(17)15-16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyCUWVAXINFDTJSD-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.17
Rot. Bonds2

About 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide

4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 82843411) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide
PubChem CID82843411
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NN2CCCCC2)cn1
InChIInChI=1S/C12H16ClN3O/c1-9-7-11(13)10(8-14-9)12(17)15-16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,15,17)
InChIKeyCUWVAXINFDTJSD-UHFFFAOYSA-N
XLogP2.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide (CID 82843411) is 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NN2CCCCC2)cn1.
What is the InChIKey of 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is CUWVAXINFDTJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-9-7-11(13)10(8-14-9)12(17)15-16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,15,17).
What are the key properties of 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide?
4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 82843411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).