6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

C14H20N4O3 — CID 110107610

IUPAC6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc(OC)nc1
InChIInChI=1S/C14H20N4O3/c1-15-14(20)10-7-18(2)8-11(10)17-13(19)9-4-5-12(21-3)16-6-9/h4-6,10-11H,7-8H2,1-3H3,(H,15,20)(H,17,19)/t10-,11+/m1/s1
InChIKeyCITQCUATMPBQML-MNOVXSKESA-N
MW292.34 g/mol
LogP-0.50
Rot. Bonds4

About 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 110107610) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID110107610
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc(OC)nc1
InChIInChI=1S/C14H20N4O3/c1-15-14(20)10-7-18(2)8-11(10)17-13(19)9-4-5-12(21-3)16-6-9/h4-6,10-11H,7-8H2,1-3H3,(H,15,20)(H,17,19)/t10-,11+/m1/s1
InChIKeyCITQCUATMPBQML-MNOVXSKESA-N
XLogP-0.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 110107610) is 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is CNC(=O)[C@@H]1CN(C)C[C@@H]1NC(=O)c1ccc(OC)nc1.
What is the InChIKey of 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is CITQCUATMPBQML-MNOVXSKESA-N. The full InChI is InChI=1S/C14H20N4O3/c1-15-14(20)10-7-18(2)8-11(10)17-13(19)9-4-5-12(21-3)16-6-9/h4-6,10-11H,7-8H2,1-3H3,(H,15,20)(H,17,19)/t10-,11+/m1/s1.
What are the key properties of 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3R,4R)-1-methyl-4-(methylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110107610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).