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

C12H17N3O2 — CID 105068087

IUPAC3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC1CCCO1
InChIInChI=1S/C12H17N3O2/c1-13-11-8-14-5-4-10(11)12(16)15-7-9-3-2-6-17-9/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyFRAISLKMSNSELV-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.03
Rot. Bonds4

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

3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 105068087) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID105068087
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC1CCCO1
InChIInChI=1S/C12H17N3O2/c1-13-11-8-14-5-4-10(11)12(16)15-7-9-3-2-6-17-9/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyFRAISLKMSNSELV-UHFFFAOYSA-N
XLogP1.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068089
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070801
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81243061
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425082
3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 80707090
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
N-(4-methyl-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 124697742
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
3-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105069188

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (CID 105068087) is 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is CNc1cnccc1C(=O)NCC1CCCO1.
What is the InChIKey of 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is FRAISLKMSNSELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-11-8-14-5-4-10(11)12(16)15-7-9-3-2-6-17-9/h4-5,8-9,13H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105068087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).