3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide

C12H17N3O2 — CID 64891810

IUPAC3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCc1ccc(CNC(=O)C2(N)CCOC2)cn1
InChIInChI=1S/C12H17N3O2/c1-9-2-3-10(6-14-9)7-15-11(16)12(13)4-5-17-8-12/h2-3,6H,4-5,7-8,13H2,1H3,(H,15,16)
InChIKeyVRVBWRJXNLUVJV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.12
Rot. Bonds3

About 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide

3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide (PubChem CID 64891810) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
PubChem CID64891810
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCc1ccc(CNC(=O)C2(N)CCOC2)cn1
InChIInChI=1S/C12H17N3O2/c1-9-2-3-10(6-14-9)7-15-11(16)12(13)4-5-17-8-12/h2-3,6H,4-5,7-8,13H2,1H3,(H,15,16)
InChIKeyVRVBWRJXNLUVJV-UHFFFAOYSA-N
XLogP0.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892061
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-carboxamide
CID 64891597
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
1-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 76980113
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 64892585
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 64892174
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 116604510
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236838
N-[(6-methyl-3-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63129561
4-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]oxane-4-carboxamide
CID 62993835

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide (CID 64891810) is 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide is Cc1ccc(CNC(=O)C2(N)CCOC2)cn1.
What is the InChIKey of 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide?
The InChIKey is VRVBWRJXNLUVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-2-3-10(6-14-9)7-15-11(16)12(13)4-5-17-8-12/h2-3,6H,4-5,7-8,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide?
3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).