N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

C17H25N3O2 — CID 109080013

IUPACN-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H25N3O2/c1-4-13(3)19-16(21)14-7-8-18-15(10-14)17(22)20-9-5-6-12(2)11-20/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,19,21)
InChIKeyZDXYYQKAPCZIQG-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.48
Rot. Bonds4

About N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109080013) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109080013
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C17H25N3O2/c1-4-13(3)19-16(21)14-7-8-18-15(10-14)17(22)20-9-5-6-12(2)11-20/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,19,21)
InChIKeyZDXYYQKAPCZIQG-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090418
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109083914
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109090134
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090374
N-(2-fluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090390
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109086112
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109080013) is N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is CCC(C)NC(=O)c1ccnc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is ZDXYYQKAPCZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-13(3)19-16(21)14-7-8-18-15(10-14)17(22)20-9-5-6-12(2)11-20/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109080013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).