3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide

C14H17N5O2 — CID 64893945

IUPAC3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2(N)CCOC2)cn1
InChIInChI=1S/C14H17N5O2/c1-10-16-5-6-19(10)12-3-2-11(8-17-12)18-13(20)14(15)4-7-21-9-14/h2-3,5-6,8H,4,7,9,15H2,1H3,(H,18,20)
InChIKeyVNKDZMLHCBDRAS-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.63
Rot. Bonds3

About 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide

3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide (PubChem CID 64893945) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
PubChem CID64893945
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2(N)CCOC2)cn1
InChIInChI=1S/C14H17N5O2/c1-10-16-5-6-19(10)12-3-2-11(8-17-12)18-13(20)14(15)4-7-21-9-14/h2-3,5-6,8H,4,7,9,15H2,1H3,(H,18,20)
InChIKeyVNKDZMLHCBDRAS-UHFFFAOYSA-N
XLogP0.63
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
CID 81179873
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 90565111
1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 56815888
4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 66240019
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 115293891
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]oxolane-3-carboxamide
CID 82817640
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
2-(cyclopropylamino)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60842509
2-amino-2-ethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 79813550
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
3-amino-4-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896268
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide (CID 64893945) is 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2(N)CCOC2)cn1.
What is the InChIKey of 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide?
The InChIKey is VNKDZMLHCBDRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-16-5-6-19(10)12-3-2-11(8-17-12)18-13(20)14(15)4-7-21-9-14/h2-3,5-6,8H,4,7,9,15H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide?
3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 64893945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).