1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide

C19H23N3O4 — CID 91791026

IUPAC1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide
SMILESCCn1c(C)ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c1=O
InChIInChI=1S/C19H23N3O4/c1-3-22-13(2)7-8-14(19(22)24)18(23)21-15-12-25-11-9-16(15)26-17-6-4-5-10-20-17/h4-8,10,15-16H,3,9,11-12H2,1-2H3,(H,21,23)/t15-,16-/m1/s1
InChIKeyKXZCBGQBLQLTGL-HZPDHXFCSA-N
MW357.41 g/mol
LogP1.54
Rot. Bonds5

About 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide

1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide (PubChem CID 91791026) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide
PubChem CID91791026
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide
SMILESCCn1c(C)ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c1=O
InChIInChI=1S/C19H23N3O4/c1-3-22-13(2)7-8-14(19(22)24)18(23)21-15-12-25-11-9-16(15)26-17-6-4-5-10-20-17/h4-8,10,15-16H,3,9,11-12H2,1-2H3,(H,21,23)/t15-,16-/m1/s1
InChIKeyKXZCBGQBLQLTGL-HZPDHXFCSA-N
XLogP1.54
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide (CID 91791026) is 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide is CCn1c(C)ccc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c1=O.
What is the InChIKey of 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide?
The InChIKey is KXZCBGQBLQLTGL-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-22-13(2)7-8-14(19(22)24)18(23)21-15-12-25-11-9-16(15)26-17-6-4-5-10-20-17/h4-8,10,15-16H,3,9,11-12H2,1-2H3,(H,21,23)/t15-,16-/m1/s1.
What are the key properties of 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide?
1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91791026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).