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

C14H17N5O2 — CID 66240019

IUPAC4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2COCC2N)cn1
InChIInChI=1S/C14H17N5O2/c1-9-16-4-5-19(9)13-3-2-10(6-17-13)18-14(20)11-7-21-8-12(11)15/h2-6,11-12H,7-8,15H2,1H3,(H,18,20)
InChIKeyIEYMZHLDXBXMGU-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.49
Rot. Bonds3

About 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide

4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide (PubChem CID 66240019) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
PubChem CID66240019
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2COCC2N)cn1
InChIInChI=1S/C14H17N5O2/c1-9-16-4-5-19(9)13-3-2-10(6-17-13)18-14(20)11-7-21-8-12(11)15/h2-6,11-12H,7-8,15H2,1H3,(H,18,20)
InChIKeyIEYMZHLDXBXMGU-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 64893945
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
CID 43698331
1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
CID 81179873
2-(cyclopropylamino)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60842509
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
2-amino-2-ethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 79813550
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
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 90565111
4-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclohexane-1,4-diamine
CID 79731624

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide (CID 66240019) is 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2COCC2N)cn1.
What is the InChIKey of 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide?
The InChIKey is IEYMZHLDXBXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-16-4-5-19(9)13-3-2-10(6-17-13)18-14(20)11-7-21-8-12(11)15/h2-6,11-12H,7-8,15H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide?
4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 66240019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).