[4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone

C13H19N3O2 — CID 116603035

IUPAC[4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone
SMILESCc1ccnc(N)c1C(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H19N3O2/c1-9-2-5-16-12(15)10(9)11(17)13(8-14)3-6-18-7-4-13/h2,5H,3-4,6-8,14H2,1H3,(H2,15,16)
InChIKeyGKDLCUUSCKYVKY-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.91
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone

[4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone (PubChem CID 116603035) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone
PubChem CID116603035
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone
SMILESCc1ccnc(N)c1C(=O)C1(CN)CCOCC1
InChIInChI=1S/C13H19N3O2/c1-9-2-5-16-12(15)10(9)11(17)13(8-14)3-6-18-7-4-13/h2,5H,3-4,6-8,14H2,1H3,(H2,15,16)
InChIKeyGKDLCUUSCKYVKY-UHFFFAOYSA-N
XLogP0.91
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116603226
(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone
CID 116750801
(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074631
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327479
[4-(aminomethyl)oxan-4-yl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756941
1-[4-(aminomethyl)oxan-4-yl]-2-(2,6-dimethylphenyl)ethanone
CID 116603088
[4-(aminomethyl)oxan-4-yl]-(4-propoxyphenyl)methanone
CID 116603107
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-6-methylbenzoic acid
CID 115439600
[4-(aminomethyl)oxan-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 116603183
[4-(aminomethyl)oxan-4-yl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116603132
[4-(aminomethyl)oxan-4-yl]-(5-methylthiophen-3-yl)methanone
CID 116603243
(2-amino-4-methyl-3-pyridinyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754132

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone (CID 116603035) is [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone is Cc1ccnc(N)c1C(=O)C1(CN)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone?
The InChIKey is GKDLCUUSCKYVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-2-5-16-12(15)10(9)11(17)13(8-14)3-6-18-7-4-13/h2,5H,3-4,6-8,14H2,1H3,(H2,15,16).
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone?
[4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(2-amino-4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116603035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).