3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H18ClN5O3 — CID 134802484

IUPAC3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc2onc(C3CCN(C(=O)c4ccc(Cl)nc4)C3)c12
InChIInChI=1S/C19H18ClN5O3/c1-10-7-13(17(26)21-2)15-16(24-28-18(15)23-10)12-5-6-25(9-12)19(27)11-3-4-14(20)22-8-11/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,21,26)
InChIKeyFTBYSBUROIDEJN-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.57
Rot. Bonds3

About 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802484) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802484
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc2onc(C3CCN(C(=O)c4ccc(Cl)nc4)C3)c12
InChIInChI=1S/C19H18ClN5O3/c1-10-7-13(17(26)21-2)15-16(24-28-18(15)23-10)12-5-6-25(9-12)19(27)11-3-4-14(20)22-8-11/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,21,26)
InChIKeyFTBYSBUROIDEJN-UHFFFAOYSA-N
XLogP2.57
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134802484) is 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C)nc2onc(C3CCN(C(=O)c4ccc(Cl)nc4)C3)c12.
What is the InChIKey of 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FTBYSBUROIDEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-10-7-13(17(26)21-2)15-16(24-28-18(15)23-10)12-5-6-25(9-12)19(27)11-3-4-14(20)22-8-11/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,21,26).
What are the key properties of 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 399.84 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-N,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).