2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide

C12H17N3O2 — CID 55082636

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NC1(CO)CCCC1
InChIInChI=1S/C12H17N3O2/c13-10(17)9-4-3-7-14-11(9)15-12(8-16)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8H2,(H2,13,17)(H,14,15)
InChIKeyPTVGBKROWUNLSO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.90
Rot. Bonds4

About 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide

2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide (PubChem CID 55082636) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide
PubChem CID55082636
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NC1(CO)CCCC1
InChIInChI=1S/C12H17N3O2/c13-10(17)9-4-3-7-14-11(9)15-12(8-16)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8H2,(H2,13,17)(H,14,15)
InChIKeyPTVGBKROWUNLSO-UHFFFAOYSA-N
XLogP0.90
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide (CID 55082636) is 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide is NC(=O)c1cccnc1NC1(CO)CCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide?
The InChIKey is PTVGBKROWUNLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10(17)9-4-3-7-14-11(9)15-12(8-16)5-1-2-6-12/h3-4,7,16H,1-2,5-6,8H2,(H2,13,17)(H,14,15).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide?
2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 55082636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).