6-(cyclopentylmethylamino)pyridine-3-carboxamide

C12H17N3O — CID 112727037

IUPAC6-(cyclopentylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CCCC2)nc1
InChIInChI=1S/C12H17N3O/c13-12(16)10-5-6-11(15-8-10)14-7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,13,16)(H,14,15)
InChIKeyKSUTVZCNRWWYFG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.78
Rot. Bonds4

About 6-(cyclopentylmethylamino)pyridine-3-carboxamide

6-(cyclopentylmethylamino)pyridine-3-carboxamide (PubChem CID 112727037) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-(cyclopentylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopentylmethylamino)pyridine-3-carboxamide
PubChem CID112727037
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-(cyclopentylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CCCC2)nc1
InChIInChI=1S/C12H17N3O/c13-12(16)10-5-6-11(15-8-10)14-7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,13,16)(H,14,15)
InChIKeyKSUTVZCNRWWYFG-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopentylmethylamino)pyridine-3-carboxamide (CID 112727037) is 6-(cyclopentylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopentylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopentylmethylamino)pyridine-3-carboxamide is NC(=O)c1ccc(NCC2CCCC2)nc1.
What is the InChIKey of 6-(cyclopentylmethylamino)pyridine-3-carboxamide?
The InChIKey is KSUTVZCNRWWYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12(16)10-5-6-11(15-8-10)14-7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,13,16)(H,14,15).
What are the key properties of 6-(cyclopentylmethylamino)pyridine-3-carboxamide?
6-(cyclopentylmethylamino)pyridine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 112727037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).