5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide

C27H29F2N5O2 — CID 167524042

IUPAC5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide
SMILESCNC(=O)c1cc2ncccc2c(N2CCCc3cc(C4CCN(C(C)=O)CC4)c(C(F)F)cc32)n1
InChIInChI=1S/C27H29F2N5O2/c1-16(35)33-11-7-17(8-12-33)20-13-18-5-4-10-34(24(18)14-21(20)25(28)29)26-19-6-3-9-31-22(19)15-23(32-26)27(36)30-2/h3,6,9,13-15,17,25H,4-5,7-8,10-12H2,1-2H3,(H,30,36)
InChIKeyHFVIXVYXOXAJPC-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.74
Rot. Bonds4

About 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide

5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide (PubChem CID 167524042) has the molecular formula C27H29F2N5O2 and a molecular weight of 493.56 g/mol. Its IUPAC name is 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide
PubChem CID167524042
Molecular FormulaC27H29F2N5O2
Molecular Weight493.56 g/mol
Exact Mass493.23
IUPAC Name5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide
SMILESCNC(=O)c1cc2ncccc2c(N2CCCc3cc(C4CCN(C(C)=O)CC4)c(C(F)F)cc32)n1
InChIInChI=1S/C27H29F2N5O2/c1-16(35)33-11-7-17(8-12-33)20-13-18-5-4-10-34(24(18)14-21(20)25(28)29)26-19-6-3-9-31-22(19)15-23(32-26)27(36)30-2/h3,6,9,13-15,17,25H,4-5,7-8,10-12H2,1-2H3,(H,30,36)
InChIKeyHFVIXVYXOXAJPC-UHFFFAOYSA-N
XLogP4.74
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide (CID 167524042) is 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide is CNC(=O)c1cc2ncccc2c(N2CCCc3cc(C4CCN(C(C)=O)CC4)c(C(F)F)cc32)n1.
What is the InChIKey of 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide?
The InChIKey is HFVIXVYXOXAJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O2/c1-16(35)33-11-7-17(8-12-33)20-13-18-5-4-10-34(24(18)14-21(20)25(28)29)26-19-6-3-9-31-22(19)15-23(32-26)27(36)30-2/h3,6,9,13-15,17,25H,4-5,7-8,10-12H2,1-2H3,(H,30,36).
What are the key properties of 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide?
5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1-acetylpiperidin-4-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 167524042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).