N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide

C26H23FN4O2 — CID 154942273

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide
SMILESCN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3ccccc3F)nccc12
InChIInChI=1S/C26H23FN4O2/c1-31(2)25-18-11-13-28-23(16-7-3-5-9-20(16)27)24(18)29-15-19(25)26(32)30-21-12-14-33-22-10-6-4-8-17(21)22/h3-11,13,15,21H,12,14H2,1-2H3,(H,30,32)/t21-/m0/s1
InChIKeyAQXKROIUYJAWIL-NRFANRHFSA-N
MW442.49 g/mol
LogP4.76
Rot. Bonds4

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide (PubChem CID 154942273) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide
PubChem CID154942273
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide
SMILESCN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3ccccc3F)nccc12
InChIInChI=1S/C26H23FN4O2/c1-31(2)25-18-11-13-28-23(16-7-3-5-9-20(16)27)24(18)29-15-19(25)26(32)30-21-12-14-33-22-10-6-4-8-17(21)22/h3-11,13,15,21H,12,14H2,1-2H3,(H,30,32)/t21-/m0/s1
InChIKeyAQXKROIUYJAWIL-NRFANRHFSA-N
XLogP4.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154951312
8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-7-fluoroquinoline-3-carboxamide
CID 134497953
N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154942170
8-(cyclohepten-1-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)quinoline-3-carboxamide
CID 137462474
1-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylamino)isoquinoline-6-carboxamide
CID 152677178
N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide
CID 137462490
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
CID 154942201
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
7-chloro-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,5-naphthyridine-3-carboxamide
CID 146501502
4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 134502143
8-(3,5-dichlorophenyl)-N-[(5S)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 163512853
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134498034

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide (CID 154942273) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide is CN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3ccccc3F)nccc12.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide?
The InChIKey is AQXKROIUYJAWIL-NRFANRHFSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-31(2)25-18-11-13-28-23(16-7-3-5-9-20(16)27)24(18)29-15-19(25)26(32)30-21-12-14-33-22-10-6-4-8-17(21)22/h3-11,13,15,21H,12,14H2,1-2H3,(H,30,32)/t21-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 154942273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).