4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide

C12H17N3O2 — CID 81240575

IUPAC4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NCC1CCCOC1
InChIInChI=1S/C12H17N3O2/c13-11-3-4-14-7-10(11)12(16)15-6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8H2,(H2,13,14)(H,15,16)
InChIKeyABYCRFUWUGOYBH-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.82
Rot. Bonds3

About 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide

4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 81240575) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
PubChem CID81240575
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NCC1CCCOC1
InChIInChI=1S/C12H17N3O2/c13-11-3-4-14-7-10(11)12(16)15-6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8H2,(H2,13,14)(H,15,16)
InChIKeyABYCRFUWUGOYBH-UHFFFAOYSA-N
XLogP0.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 114922848
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
CID 79773802
3-amino-2-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115548779
N-(cyclopentylmethyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256785
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
CID 62160787
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886
6-hydrazinyl-N-(oxan-3-ylmethyl)pyridazine-3-carboxamide
CID 62249832
2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850075

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide (CID 81240575) is 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide is Nc1ccncc1C(=O)NCC1CCCOC1.
What is the InChIKey of 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ABYCRFUWUGOYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11-3-4-14-7-10(11)12(16)15-6-9-2-1-5-17-8-9/h3-4,7,9H,1-2,5-6,8H2,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide?
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81240575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).