5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide

C18H20ClN3O4 — CID 91762397

IUPAC5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(C)c1Cl
InChIInChI=1S/C18H20ClN3O4/c1-10-15(17(23)21-11(2)16(10)19)18(24)22-12-9-25-8-6-13(12)26-14-5-3-4-7-20-14/h3-5,7,12-13H,6,8-9H2,1-2H3,(H,21,23)(H,22,24)/t12-,13-/m1/s1
InChIKeyGXOGAZFYXQJNCA-CHWSQXEVSA-N
MW377.83 g/mol
LogP2.01
Rot. Bonds4

About 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide

5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide (PubChem CID 91762397) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide
PubChem CID91762397
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(C)c1Cl
InChIInChI=1S/C18H20ClN3O4/c1-10-15(17(23)21-11(2)16(10)19)18(24)22-12-9-25-8-6-13(12)26-14-5-3-4-7-20-14/h3-5,7,12-13H,6,8-9H2,1-2H3,(H,21,23)(H,22,24)/t12-,13-/m1/s1
InChIKeyGXOGAZFYXQJNCA-CHWSQXEVSA-N
XLogP2.01
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 91766028
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
CID 91786651
3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91764238
1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea
CID 91777188
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
CID 91792493
2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
CID 91791524
2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91766386
2-methylsulfanyl-N-(4-pyridin-2-yloxyoxan-3-yl)-1,3-thiazole-4-carboxamide
CID 156608294
5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91798306
4-(2-methyltetrazol-5-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]benzamide
CID 91771219

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide (CID 91762397) is 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide?
The InChIKey is GXOGAZFYXQJNCA-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-10-15(17(23)21-11(2)16(10)19)18(24)22-12-9-25-8-6-13(12)26-14-5-3-4-7-20-14/h3-5,7,12-13H,6,8-9H2,1-2H3,(H,21,23)(H,22,24)/t12-,13-/m1/s1.
What are the key properties of 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide?
5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-2-oxo-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91762397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).