4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C11H15N3O2 — CID 81236289

IUPAC4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NCC1CCCO1
InChIInChI=1S/C11H15N3O2/c12-10-3-4-13-7-9(10)11(15)14-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H2,12,13)(H,14,15)
InChIKeyXNHPHGGGRGILKH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.57
Rot. Bonds3

About 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 81236289) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID81236289
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)NCC1CCCO1
InChIInChI=1S/C11H15N3O2/c12-10-3-4-13-7-9(10)11(15)14-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H2,12,13)(H,14,15)
InChIKeyXNHPHGGGRGILKH-UHFFFAOYSA-N
XLogP0.57
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068089
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 81236289) is 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Nc1ccncc1C(=O)NCC1CCCO1.
What is the InChIKey of 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XNHPHGGGRGILKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-10-3-4-13-7-9(10)11(15)14-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H2,12,13)(H,14,15).
What are the key properties of 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81236289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).