4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide

C13H19N3O2 — CID 63327479

IUPAC4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
SMILESCc1ccncc1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H19N3O2/c1-10-2-5-15-8-11(10)16-12(17)13(9-14)3-6-18-7-4-13/h2,5,8H,3-4,6-7,9,14H2,1H3,(H,16,17)
InChIKeyCBUYHHAROTWWRT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.08
Rot. Bonds3

About 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide

4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide (PubChem CID 63327479) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
PubChem CID63327479
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
SMILESCc1ccncc1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H19N3O2/c1-10-2-5-15-8-11(10)16-12(17)13(9-14)3-6-18-7-4-13/h2,5,8H,3-4,6-7,9,14H2,1H3,(H,16,17)
InChIKeyCBUYHHAROTWWRT-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide
CID 120940433
4-cyano-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327364
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
1-amino-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119858196
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-6-methylbenzoic acid
CID 115439600
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)oxane-4-carboxamide
CID 102804713
4-methyl-N-(4-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 63327188
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
4-(aminomethyl)-N-(4-methyl-3-sulfamoylphenyl)oxane-4-carboxamide
CID 120919382
4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
CID 115438930

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide (CID 63327479) is 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide is Cc1ccncc1NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is CBUYHHAROTWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-2-5-15-8-11(10)16-12(17)13(9-14)3-6-18-7-4-13/h2,5,8H,3-4,6-7,9,14H2,1H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 63327479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).