4-amino-N-cycloheptylpyridine-3-carboxamide

C13H19N3O — CID 81236590

IUPAC4-amino-N-cycloheptylpyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H19N3O/c14-12-7-8-15-9-11(12)13(17)16-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H2,14,15)(H,16,17)
InChIKeyJTYZPZYLLGZRCM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds2

About 4-amino-N-cycloheptylpyridine-3-carboxamide

4-amino-N-cycloheptylpyridine-3-carboxamide (PubChem CID 81236590) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-amino-N-cycloheptylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cycloheptylpyridine-3-carboxamide
PubChem CID81236590
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-amino-N-cycloheptylpyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H19N3O/c14-12-7-8-15-9-11(12)13(17)16-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H2,14,15)(H,16,17)
InChIKeyJTYZPZYLLGZRCM-UHFFFAOYSA-N
XLogP2.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 81245479
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
N-cyclohexylpyridine-4-carboxamide
CID 3436730
4-amino-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82737450
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977
N-cyclopentylpyridine-4-carboxamide
CID 4212000
2-amino-N-cyclooctyl-3-fluoropyridine-4-carboxamide
CID 105384104
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cycloheptylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-cycloheptylpyridine-3-carboxamide (CID 81236590) is 4-amino-N-cycloheptylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-cycloheptylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-cycloheptylpyridine-3-carboxamide is Nc1ccncc1C(=O)NC1CCCCCC1.
What is the InChIKey of 4-amino-N-cycloheptylpyridine-3-carboxamide?
The InChIKey is JTYZPZYLLGZRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12-7-8-15-9-11(12)13(17)16-10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-N-cycloheptylpyridine-3-carboxamide?
4-amino-N-cycloheptylpyridine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cycloheptylpyridine-3-carboxamide is sourced from PubChem (CID 81236590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).