N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide

C18H29N3O — CID 109239498

IUPACN-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H29N3O/c1-2-3-8-11-20-17-12-15(13-19-14-17)18(22)21-16-9-6-4-5-7-10-16/h12-14,16,20H,2-11H2,1H3,(H,21,22)
InChIKeySWXNZCRBTHAGDQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.14
Rot. Bonds7

About N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide

N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide (PubChem CID 109239498) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
PubChem CID109239498
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
SMILESCCCCCNc1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H29N3O/c1-2-3-8-11-20-17-12-15(13-19-14-17)18(22)21-16-9-6-4-5-7-10-16/h12-14,16,20H,2-11H2,1H3,(H,21,22)
InChIKeySWXNZCRBTHAGDQ-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-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229945
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730
5-(cyclopentylamino)-N-pentylpyridine-3-carboxamide
CID 109226139
N-cyclopentyl-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224923
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239199
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 102253634
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 102253633

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide (CID 109239498) is N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide is CCCCCNc1cncc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide?
The InChIKey is SWXNZCRBTHAGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-3-8-11-20-17-12-15(13-19-14-17)18(22)21-16-9-6-4-5-7-10-16/h12-14,16,20H,2-11H2,1H3,(H,21,22).
What are the key properties of N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide?
N-cycloheptyl-5-(pentylamino)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 109239498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).