N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide

C18H27N3O — CID 109181397

IUPACN-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C18H27N3O/c1-3-14(2)21-18(22)17-10-9-16(13-20-17)19-12-11-15-7-5-4-6-8-15/h7,9-10,13-14,19H,3-6,8,11-12H2,1-2H3,(H,21,22)
InChIKeyPXJBYIFRPOVOJE-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.91
Rot. Bonds7

About N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide

N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 109181397) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
PubChem CID109181397
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(NCCC2=CCCCC2)cn1
InChIInChI=1S/C18H27N3O/c1-3-14(2)21-18(22)17-10-9-16(13-20-17)19-12-11-15-7-5-4-6-8-15/h7,9-10,13-14,19H,3-6,8,11-12H2,1-2H3,(H,21,22)
InChIKeyPXJBYIFRPOVOJE-UHFFFAOYSA-N
XLogP3.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179842
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109225120
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183801
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180426
N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183818
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109183647
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109183679

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (CID 109181397) is N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is CCC(C)NC(=O)c1ccc(NCCC2=CCCCC2)cn1.
What is the InChIKey of N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is PXJBYIFRPOVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-14(2)21-18(22)17-10-9-16(13-20-17)19-12-11-15-7-5-4-6-8-15/h7,9-10,13-14,19H,3-6,8,11-12H2,1-2H3,(H,21,22).
What are the key properties of N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109181397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).