N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide

C14H21N3O2 — CID 106297509

IUPACN-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(CN)CCOCC2)c(C)n1
InChIInChI=1S/C14H21N3O2/c1-10-3-4-12(11(2)16-10)13(18)17-14(9-15)5-7-19-8-6-14/h3-4H,5-9,15H2,1-2H3,(H,17,18)
InChIKeyJGORQSCQAXBGJJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.94
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 106297509) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID106297509
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(CN)CCOCC2)c(C)n1
InChIInChI=1S/C14H21N3O2/c1-10-3-4-12(11(2)16-10)13(18)17-14(9-15)5-7-19-8-6-14/h3-4H,5-9,15H2,1-2H3,(H,17,18)
InChIKeyJGORQSCQAXBGJJ-UHFFFAOYSA-N
XLogP0.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297411
N-[4-(aminomethyl)oxan-4-yl]-6-methylpyridine-3-carboxamide
CID 114170027
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
CID 106297158
N-[4-(aminomethyl)oxan-4-yl]-3-hydroxybenzamide
CID 106297118
N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide
CID 112735728
N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106297346
N-[4-(aminomethyl)oxan-4-yl]-1-benzofuran-2-carboxamide
CID 106297306
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
N-[4-(aminomethyl)oxan-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 106297138
(2,6-dimethyl-3-pyridinyl)-(oxan-4-yl)methanone
CID 105099428

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide (CID 106297509) is N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2(CN)CCOCC2)c(C)n1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is JGORQSCQAXBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-3-4-12(11(2)16-10)13(18)17-14(9-15)5-7-19-8-6-14/h3-4H,5-9,15H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.94, 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]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 106297509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).