4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide

C14H21N3O3 — CID 62993835

IUPAC4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(CN)CCOCC2)cn1
InChIInChI=1S/C14H21N3O3/c1-19-12-3-2-11(8-16-12)9-17-13(18)14(10-15)4-6-20-7-5-14/h2-3,8H,4-7,9-10,15H2,1H3,(H,17,18)
InChIKeyIVGMDSFCQNQVMG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.46
Rot. Bonds5

About 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide (PubChem CID 62993835) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
PubChem CID62993835
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(CN)CCOCC2)cn1
InChIInChI=1S/C14H21N3O3/c1-19-12-3-2-11(8-16-12)9-17-13(18)14(10-15)4-6-20-7-5-14/h2-3,8H,4-7,9-10,15H2,1H3,(H,17,18)
InChIKeyIVGMDSFCQNQVMG-UHFFFAOYSA-N
XLogP0.46
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]oxane-4-carboxamide
CID 62993317
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
4-(aminomethyl)-N-[(3-bromo-4-methoxyphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120930166
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
4-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]oxane-4-carboxamide
CID 106390797
4-(aminomethyl)-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]oxane-4-carboxamide
CID 120922707
4-(aminomethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
CID 120920598
4-(aminomethyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]oxane-4-carboxamide
CID 120938252
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 82239647
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
CID 61275158

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide (CID 62993835) is 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide is COc1ccc(CNC(=O)C2(CN)CCOCC2)cn1.
What is the InChIKey of 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide?
The InChIKey is IVGMDSFCQNQVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-12-3-2-11(8-16-12)9-17-13(18)14(10-15)4-6-20-7-5-14/h2-3,8H,4-7,9-10,15H2,1H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 62993835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).