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

C21H20ClN5O3 — CID 134802285

IUPAC3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)c4ccc(Cl)nc4)C3)c12
InChIInChI=1S/C21H20ClN5O3/c1-23-19(28)14-8-15(11-2-3-11)25-20-17(14)18(26-30-20)13-6-7-27(10-13)21(29)12-4-5-16(22)24-9-12/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,23,28)
InChIKeyAGWFOGMHDHWJJV-UHFFFAOYSA-N
MW425.88 g/mol
LogP3.14
Rot. Bonds4

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

3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802285) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802285
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC Name3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)c4ccc(Cl)nc4)C3)c12
InChIInChI=1S/C21H20ClN5O3/c1-23-19(28)14-8-15(11-2-3-11)25-20-17(14)18(26-30-20)13-6-7-27(10-13)21(29)12-4-5-16(22)24-9-12/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,23,28)
InChIKeyAGWFOGMHDHWJJV-UHFFFAOYSA-N
XLogP3.14
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 53.14
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]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 134802285) is 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2onc(C3CCN(C(=O)c4ccc(Cl)nc4)C3)c12.
What is the InChIKey of 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AGWFOGMHDHWJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c1-23-19(28)14-8-15(11-2-3-11)25-20-17(14)18(26-30-20)13-6-7-27(10-13)21(29)12-4-5-16(22)24-9-12/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,23,28).
What are the key properties of 3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-[1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 425.88 g/mol, XLogP of 3.14, 4 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]-6-cyclopropyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).