N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide

C17H27N3O — CID 113015064

IUPACN-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
SMILESCC(C)CCNc1ccc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C17H27N3O/c1-13(2)10-11-18-16-9-8-15(12-19-16)20-17(21)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIIDDNURWLNYQTL-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.06
Rot. Bonds6

About N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide

N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 113015064) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
PubChem CID113015064
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
SMILESCC(C)CCNc1ccc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C17H27N3O/c1-13(2)10-11-18-16-9-8-15(12-19-16)20-17(21)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIIDDNURWLNYQTL-UHFFFAOYSA-N
XLogP4.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113010772
N-[6-(tert-butylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113014760
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113010317
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
CID 113012101
N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280251
N-[6-(3-methylbutylamino)-3-pyridinyl]pentanamide
CID 113015062
N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017854

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide (CID 113015064) is N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide is CC(C)CCNc1ccc(NC(=O)C2CCCCC2)cn1.
What is the InChIKey of N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is IIDDNURWLNYQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)10-11-18-16-9-8-15(12-19-16)20-17(21)14-6-4-3-5-7-14/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide?
N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 289.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113015064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).