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

C13H19N3O3 — CID 120940433

IUPAC4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide
SMILESCOc1ccncc1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H19N3O3/c1-18-11-2-5-15-8-10(11)16-12(17)13(9-14)3-6-19-7-4-13/h2,5,8H,3-4,6-7,9,14H2,1H3,(H,16,17)
InChIKeyDPQWWNSSTNSGET-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.78
Rot. Bonds4

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

4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide (PubChem CID 120940433) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide
PubChem CID120940433
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide
SMILESCOc1ccncc1NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H19N3O3/c1-18-11-2-5-15-8-10(11)16-12(17)13(9-14)3-6-19-7-4-13/h2,5,8H,3-4,6-7,9,14H2,1H3,(H,16,17)
InChIKeyDPQWWNSSTNSGET-UHFFFAOYSA-N
XLogP0.78
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327479
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)oxane-4-carboxamide
CID 82867312
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
4-(aminomethyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]oxane-4-carboxamide
CID 120926434
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350
4-(aminomethyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]oxane-4-carboxamide;hydrochloride
CID 120921031
4-(aminomethyl)-N-(3,5-dimethoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120917475
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-methoxybenzoic acid
CID 115453354
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
4-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439459

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide (CID 120940433) is 4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide is COc1ccncc1NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is DPQWWNSSTNSGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-11-2-5-15-8-10(11)16-12(17)13(9-14)3-6-19-7-4-13/h2,5,8H,3-4,6-7,9,14H2,1H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methoxy-3-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 120940433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).