2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide

C13H19N3O2 — CID 113253039

IUPAC2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide
SMILESCC1(CNc2ncccc2C(N)=O)CCOCC1
InChIInChI=1S/C13H19N3O2/c1-13(4-7-18-8-5-13)9-16-12-10(11(14)17)3-2-6-15-12/h2-3,6H,4-5,7-9H2,1H3,(H2,14,17)(H,15,16)
InChIKeyFVNOPKPJCWPNBS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.41
Rot. Bonds4

About 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide

2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide (PubChem CID 113253039) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide
PubChem CID113253039
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide
SMILESCC1(CNc2ncccc2C(N)=O)CCOCC1
InChIInChI=1S/C13H19N3O2/c1-13(4-7-18-8-5-13)9-16-12-10(11(14)17)3-2-6-15-12/h2-3,6H,4-5,7-9H2,1H3,(H2,14,17)(H,15,16)
InChIKeyFVNOPKPJCWPNBS-UHFFFAOYSA-N
XLogP1.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-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

3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103748473
2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 103742502
3-[(4-methyloxan-4-yl)methylamino]pyridazine-4-carbothioamide
CID 114125561
N-methyl-2-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxamide
CID 133321099
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309120
ethyl 2-[[4-(dimethylamino)oxan-4-yl]methylamino]pyridine-3-carboxylate
CID 133471175
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
CID 107164465
N-[(4-methyloxan-4-yl)methyl]-2-nitropyridin-3-amine
CID 113253043
2-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115578372
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide (CID 113253039) is 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide is CC1(CNc2ncccc2C(N)=O)CCOCC1.
What is the InChIKey of 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is FVNOPKPJCWPNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(4-7-18-8-5-13)9-16-12-10(11(14)17)3-2-6-15-12/h2-3,6H,4-5,7-9H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide?
2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 113253039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).