4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride

C13H21Cl2N3O2 — CID 120937717

IUPAC4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2(CN)CCOCC2)n1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-10-3-2-4-11(15-10)16-12(17)13(9-14)5-7-18-8-6-13;;/h2-4H,5-9,14H2,1H3,(H,15,16,17);2*1H
InChIKeyJADPNWGEBSVTDT-UHFFFAOYSA-N
MW322.24 g/mol
LogP1.93
Rot. Bonds3

About 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride (PubChem CID 120937717) has the molecular formula C13H21Cl2N3O2 and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
PubChem CID120937717
Molecular FormulaC13H21Cl2N3O2
Molecular Weight322.24 g/mol
Exact Mass321.10
IUPAC Name4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
SMILESCc1cccc(NC(=O)C2(CN)CCOCC2)n1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-10-3-2-4-11(15-10)16-12(17)13(9-14)5-7-18-8-6-13;;/h2-4H,5-9,14H2,1H3,(H,15,16,17);2*1H
InChIKeyJADPNWGEBSVTDT-UHFFFAOYSA-N
XLogP1.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(6-naphthalen-2-yl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
CID 120940738
4-(aminomethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120918147
4-(aminomethyl)-N-[3-(4-methylpyrimidin-2-yl)phenyl]oxane-4-carboxamide
CID 120933382
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide
CID 12005993
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-6-methylbenzoic acid
CID 115439600
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)oxane-4-carboxamide
CID 63327479
1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097117
1-ethoxy-N-(6-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 154739227
4-(aminomethyl)-N-[3-(methoxymethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120924113
4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride
CID 120933240

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride (CID 120937717) is 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride is Cc1cccc(NC(=O)C2(CN)CCOCC2)n1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride?
The InChIKey is JADPNWGEBSVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.2ClH/c1-10-3-2-4-11(15-10)16-12(17)13(9-14)5-7-18-8-6-13;;/h2-4H,5-9,14H2,1H3,(H,15,16,17);2*1H.
What are the key properties of 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride has a molecular weight of 322.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120937717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).