N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide

C13H19N3O2 — CID 114170027

IUPACN-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(CN)CCOCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-10-2-3-11(8-15-10)12(17)16-13(9-14)4-6-18-7-5-13/h2-3,8H,4-7,9,14H2,1H3,(H,16,17)
InChIKeyLUPRBIMPFSSDOY-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.63
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 114170027) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide
PubChem CID114170027
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(CN)CCOCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-10-2-3-11(8-15-10)12(17)16-13(9-14)4-6-18-7-5-13/h2-3,8H,4-7,9,14H2,1H3,(H,16,17)
InChIKeyLUPRBIMPFSSDOY-UHFFFAOYSA-N
XLogP0.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-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

N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844
N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297509
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 116604510
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 106297138
N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide
CID 112735728
2-[4-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 120521387
(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 116748710
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010
N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106297346

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide (CID 114170027) is N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2(CN)CCOCC2)cn1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is LUPRBIMPFSSDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-2-3-11(8-15-10)12(17)16-13(9-14)4-6-18-7-5-13/h2-3,8H,4-7,9,14H2,1H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 114170027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).