N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide

C16H20N4O2 — CID 128986179

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cccc(C)n1
InChIInChI=1S/C16H20N4O2/c1-3-20-9-8-17-15(20)14-12(7-10-22-14)19-16(21)13-6-4-5-11(2)18-13/h4-6,8-9,12,14H,3,7,10H2,1-2H3,(H,19,21)/t12-,14-/m0/s1
InChIKeySAMVBWBYGBXNDN-JSGCOSHPSA-N
MW300.36 g/mol
LogP1.87
Rot. Bonds4

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide (PubChem CID 128986179) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
PubChem CID128986179
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cccc(C)n1
InChIInChI=1S/C16H20N4O2/c1-3-20-9-8-17-15(20)14-12(7-10-22-14)19-16(21)13-6-4-5-11(2)18-13/h4-6,8-9,12,14H,3,7,10H2,1-2H3,(H,19,21)/t12-,14-/m0/s1
InChIKeySAMVBWBYGBXNDN-JSGCOSHPSA-N
XLogP1.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide (CID 128986179) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide is CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is SAMVBWBYGBXNDN-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-20-9-8-17-15(20)14-12(7-10-22-14)19-16(21)13-6-4-5-11(2)18-13/h4-6,8-9,12,14H,3,7,10H2,1-2H3,(H,19,21)/t12-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 128986179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).