N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide

C15H18N4O2 — CID 136519835

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H18N4O2/c1-11-13(4-7-21-11)15(20)18-9-12-2-3-14(17-8-12)19-6-5-16-10-19/h2-3,5-6,8,10-11,13H,4,7,9H2,1H3,(H,18,20)
InChIKeyXGQWEHGGFOOQRH-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.31
Rot. Bonds4

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide (PubChem CID 136519835) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
PubChem CID136519835
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C15H18N4O2/c1-11-13(4-7-21-11)15(20)18-9-12-2-3-14(17-8-12)19-6-5-16-10-19/h2-3,5-6,8,10-11,13H,4,7,9H2,1H3,(H,18,20)
InChIKeyXGQWEHGGFOOQRH-UHFFFAOYSA-N
XLogP1.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099650
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-propan-2-yloxan-4-yl)urea
CID 138042257
2-cyclopentyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 134040291
(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349544
(2S,3R)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349546
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
CID 113347521
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136686
1-(1-adamantylmethyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 36968166
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55608747
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075

Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide (CID 136519835) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCc1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide?
The InChIKey is XGQWEHGGFOOQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-13(4-7-21-11)15(20)18-9-12-2-3-14(17-8-12)19-6-5-16-10-19/h2-3,5-6,8,10-11,13H,4,7,9H2,1H3,(H,18,20).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 136519835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).