(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C18H16F2N2O2 — CID 134363799

IUPAC(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](C1CC1)CC2
InChIInChI=1S/C18H16F2N2O2/c19-10-3-4-11(14(20)7-10)13-8-15(17(21)23)22-18-12(13)5-6-16(24-18)9-1-2-9/h3-4,7-9,16H,1-2,5-6H2,(H2,21,23)/t16-/m0/s1
InChIKeyRBAFSCZAVGQDEO-INIZCTEOSA-N
MW330.33 g/mol
LogP3.23
Rot. Bonds3

About (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363799) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363799
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](C1CC1)CC2
InChIInChI=1S/C18H16F2N2O2/c19-10-3-4-11(14(20)7-10)13-8-15(17(21)23)22-18-12(13)5-6-16(24-18)9-1-2-9/h3-4,7-9,16H,1-2,5-6H2,(H2,21,23)/t16-/m0/s1
InChIKeyRBAFSCZAVGQDEO-INIZCTEOSA-N
XLogP3.23
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363799) is (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](C1CC1)CC2.
What is the InChIKey of (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is RBAFSCZAVGQDEO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-10-3-4-11(14(20)7-10)13-8-15(17(21)23)22-18-12(13)5-6-16(24-18)9-1-2-9/h3-4,7-9,16H,1-2,5-6H2,(H2,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).