6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide

C19H24N4O — CID 120576251

IUPAC6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide
SMILESCC1NCCCC1NC(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C19H24N4O/c1-14-17(9-6-12-20-14)22-19(24)15-10-11-18(21-13-15)23(2)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,17,20H,6,9,12H2,1-2H3,(H,22,24)
InChIKeyASDPPEJCJALQOI-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.72
Rot. Bonds4

About 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide

6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide (PubChem CID 120576251) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide
PubChem CID120576251
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide
SMILESCC1NCCCC1NC(=O)c1ccc(N(C)c2ccccc2)nc1
InChIInChI=1S/C19H24N4O/c1-14-17(9-6-12-20-14)22-19(24)15-10-11-18(21-13-15)23(2)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,17,20H,6,9,12H2,1-2H3,(H,22,24)
InChIKeyASDPPEJCJALQOI-UHFFFAOYSA-N
XLogP2.72
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide (CID 120576251) is 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide is CC1NCCCC1NC(=O)c1ccc(N(C)c2ccccc2)nc1.
What is the InChIKey of 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide?
The InChIKey is ASDPPEJCJALQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-17(9-6-12-20-14)22-19(24)15-10-11-18(21-13-15)23(2)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,17,20H,6,9,12H2,1-2H3,(H,22,24).
What are the key properties of 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide?
6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 120576251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).