N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide

C19H29N3O — CID 109227417

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H29N3O/c1-2-3-7-11-21-18-13-17(14-20-15-18)19(23)22-12-10-16-8-5-4-6-9-16/h8,13-15,21H,2-7,9-12H2,1H3,(H,22,23)
InChIKeyWRHZEUHIPBQYEU-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.30
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide (PubChem CID 109227417) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
PubChem CID109227417
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H29N3O/c1-2-3-7-11-21-18-13-17(14-20-15-18)19(23)22-12-10-16-8-5-4-6-9-16/h8,13-15,21H,2-7,9-12H2,1H3,(H,22,23)
InChIKeyWRHZEUHIPBQYEU-UHFFFAOYSA-N
XLogP4.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223365
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227546
N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227375
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109225120
N-[(4-chlorophenyl)methyl]-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227516
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103350
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
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101725
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide (CID 109227417) is N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide is CCCCCNc1cncc(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide?
The InChIKey is WRHZEUHIPBQYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-3-7-11-21-18-13-17(14-20-15-18)19(23)22-12-10-16-8-5-4-6-9-16/h8,13-15,21H,2-7,9-12H2,1H3,(H,22,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(pentylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109227417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).