6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide

C19H19F2N3O3 — CID 155341112

IUPAC6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
SMILESCC1(NC(=O)c2nc(Nc3cc(F)cc(F)c3)cc3c2OCO3)CCCC1
InChIInChI=1S/C19H19F2N3O3/c1-19(4-2-3-5-19)24-18(25)16-17-14(26-10-27-17)9-15(23-16)22-13-7-11(20)6-12(21)8-13/h6-9H,2-5,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyOVRPSSCPVPNWRV-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.89
Rot. Bonds4

About 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide

6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide (PubChem CID 155341112) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
PubChem CID155341112
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
SMILESCC1(NC(=O)c2nc(Nc3cc(F)cc(F)c3)cc3c2OCO3)CCCC1
InChIInChI=1S/C19H19F2N3O3/c1-19(4-2-3-5-19)24-18(25)16-17-14(26-10-27-17)9-15(23-16)22-13-7-11(20)6-12(21)8-13/h6-9H,2-5,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyOVRPSSCPVPNWRV-UHFFFAOYSA-N
XLogP3.89
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide (CID 155341112) is 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide is CC1(NC(=O)c2nc(Nc3cc(F)cc(F)c3)cc3c2OCO3)CCCC1.
What is the InChIKey of 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide?
The InChIKey is OVRPSSCPVPNWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-19(4-2-3-5-19)24-18(25)16-17-14(26-10-27-17)9-15(23-16)22-13-7-11(20)6-12(21)8-13/h6-9H,2-5,10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide?
6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoroanilino)-N-(1-methylcyclopentyl)-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 155341112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).