N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide

C18H27N3O2 — CID 109102362

IUPACN-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C18H27N3O2/c1-4-13(3)20-17(22)14-10-15(12-19-11-14)18(23)21-9-7-6-8-16(21)5-2/h10-13,16H,4-9H2,1-3H3,(H,20,22)
InChIKeyPCQGQANWVOEHHH-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.01
Rot. Bonds5

About N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide

N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109102362) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109102362
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCCCC2CC)c1
InChIInChI=1S/C18H27N3O2/c1-4-13(3)20-17(22)14-10-15(12-19-11-14)18(23)21-9-7-6-8-16(21)5-2/h10-13,16H,4-9H2,1-3H3,(H,20,22)
InChIKeyPCQGQANWVOEHHH-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464
5-(2-ethylpiperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109107457
N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107428
N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109105660
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
N-(2-ethyl-6-methylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107432

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide (CID 109102362) is N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(C(=O)N2CCCCC2CC)c1.
What is the InChIKey of N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is PCQGQANWVOEHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-13(3)20-17(22)14-10-15(12-19-11-14)18(23)21-9-7-6-8-16(21)5-2/h10-13,16H,4-9H2,1-3H3,(H,20,22).
What are the key properties of N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109102362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).