5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

C14H20ClN3O3 — CID 133260540

IUPAC5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H20ClN3O3/c1-8(2)18-6-11(12(7-18)21-3)17-13(19)9-4-10(15)14(20)16-5-9/h4-5,8,11-12H,6-7H2,1-3H3,(H,16,20)(H,17,19)/t11-,12-/m1/s1
InChIKeyQMLJBNDRNAEVLV-VXGBXAGGSA-N
MW313.79 g/mol
LogP0.87
Rot. Bonds4

About 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 133260540) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID133260540
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C14H20ClN3O3/c1-8(2)18-6-11(12(7-18)21-3)17-13(19)9-4-10(15)14(20)16-5-9/h4-5,8,11-12H,6-7H2,1-3H3,(H,16,20)(H,17,19)/t11-,12-/m1/s1
InChIKeyQMLJBNDRNAEVLV-VXGBXAGGSA-N
XLogP0.87
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 133260540) is 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QMLJBNDRNAEVLV-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-8(2)18-6-11(12(7-18)21-3)17-13(19)9-4-10(15)14(20)16-5-9/h4-5,8,11-12H,6-7H2,1-3H3,(H,16,20)(H,17,19)/t11-,12-/m1/s1.
What are the key properties of 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 133260540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).