N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide

C18H29N3O — CID 109195288

IUPACN-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)NC2CCCCCC2)nc1
InChIInChI=1S/C18H29N3O/c1-2-3-8-13-19-16-11-12-17(20-14-16)18(22)21-15-9-6-4-5-7-10-15/h11-12,14-15,19H,2-10,13H2,1H3,(H,21,22)
InChIKeyLWSOHKRIARCMQQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.14
Rot. Bonds7

About N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide

N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide (PubChem CID 109195288) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
PubChem CID109195288
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)NC2CCCCCC2)nc1
InChIInChI=1S/C18H29N3O/c1-2-3-8-13-19-16-11-12-17(20-14-16)18(22)21-15-9-6-4-5-7-10-15/h11-12,14-15,19H,2-10,13H2,1H3,(H,21,22)
InChIKeyLWSOHKRIARCMQQ-UHFFFAOYSA-N
XLogP4.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045
5-(ethylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 104639829
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
CID 109239498
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
N-cyclohexyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109183016
N-cycloheptyl-5-(4-methylanilino)pyridine-2-carboxamide
CID 109195297
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
N-(1,1-dioxothian-3-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641420

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide (CID 109195288) is N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccc(C(=O)NC2CCCCCC2)nc1.
What is the InChIKey of N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide?
The InChIKey is LWSOHKRIARCMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-3-8-13-19-16-11-12-17(20-14-16)18(22)21-15-9-6-4-5-7-10-15/h11-12,14-15,19H,2-10,13H2,1H3,(H,21,22).
What are the key properties of N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide?
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).