N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide

C18H27N3O — CID 109225120

IUPACN-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C18H27N3O/c1-3-14(2)21-18(22)16-11-17(13-19-12-16)20-10-9-15-7-5-4-6-8-15/h7,11-14,20H,3-6,8-10H2,1-2H3,(H,21,22)
InChIKeyRBOJNMUSNNTPEP-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.91
Rot. Bonds7

About N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide

N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 109225120) 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-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
PubChem CID109225120
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(NCCC2=CCCCC2)c1
InChIInChI=1S/C18H27N3O/c1-3-14(2)21-18(22)16-11-17(13-19-12-16)20-10-9-15-7-5-4-6-8-15/h7,11-14,20H,3-6,8-10H2,1-2H3,(H,21,22)
InChIKeyRBOJNMUSNNTPEP-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'}

Analyze N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227546
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109181397
N-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365
N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109227417
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 102253633
5-[2-(cyclohexen-1-yl)ethylamino]-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109227622
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109227594
N-[(4-chlorophenyl)methyl]-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227516
5-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109227601
N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109225122
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide (CID 109225120) is N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(NCCC2=CCCCC2)c1.
What is the InChIKey of N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
The InChIKey is RBOJNMUSNNTPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-14(2)21-18(22)16-11-17(13-19-12-16)20-10-9-15-7-5-4-6-8-15/h7,11-14,20H,3-6,8-10H2,1-2H3,(H,21,22).
What are the key properties of N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide?
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 109225120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).