N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide

C19H29N3O2 — CID 46044797

IUPACN,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2nc(C)ccc2C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-6-17(23)22-11-9-15(10-12-22)18-16(8-7-14(4)20-18)19(24)21(5)13(2)3/h7-8,13,15H,6,9-12H2,1-5H3
InChIKeyLEFZOLKWCXOQNR-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.99
Rot. Bonds4

About N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide

N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 46044797) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID46044797
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCCC(=O)N1CCC(c2nc(C)ccc2C(=O)N(C)C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-6-17(23)22-11-9-15(10-12-22)18-16(8-7-14(4)20-18)19(24)21(5)13(2)3/h7-8,13,15H,6,9-12H2,1-5H3
InChIKeyLEFZOLKWCXOQNR-UHFFFAOYSA-N
XLogP2.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide (CID 46044797) is N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide is CCC(=O)N1CCC(c2nc(C)ccc2C(=O)N(C)C(C)C)CC1.
What is the InChIKey of N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LEFZOLKWCXOQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-6-17(23)22-11-9-15(10-12-22)18-16(8-7-14(4)20-18)19(24)21(5)13(2)3/h7-8,13,15H,6,9-12H2,1-5H3.
What are the key properties of N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide?
N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(1-propanoylpiperidin-4-yl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 46044797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).