N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide

C26H21Cl3N4O2 — CID 154942170

IUPACN-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
SMILESCN(C)c1c(C(=O)N[C@@H]2CCOc3cc(Cl)ccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)nccc12
InChIInChI=1S/C26H21Cl3N4O2/c1-33(2)25-19-5-7-30-23(14-9-16(28)11-17(29)10-14)24(19)31-13-20(25)26(34)32-21-6-8-35-22-12-15(27)3-4-18(21)22/h3-5,7,9-13,21H,6,8H2,1-2H3,(H,32,34)/t21-/m1/s1
InChIKeyMNVYQWHDMCUNTE-OAQYLSRUSA-N
MW527.84 g/mol
LogP6.58
Rot. Bonds4

About N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide

N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide (PubChem CID 154942170) has the molecular formula C26H21Cl3N4O2 and a molecular weight of 527.84 g/mol. Its IUPAC name is N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
PubChem CID154942170
Molecular FormulaC26H21Cl3N4O2
Molecular Weight527.84 g/mol
Exact Mass526.07
IUPAC NameN-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
SMILESCN(C)c1c(C(=O)N[C@@H]2CCOc3cc(Cl)ccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)nccc12
InChIInChI=1S/C26H21Cl3N4O2/c1-33(2)25-19-5-7-30-23(14-9-16(28)11-17(29)10-14)24(19)31-13-20(25)26(34)32-21-6-8-35-22-12-15(27)3-4-18(21)22/h3-5,7,9-13,21H,6,8H2,1-2H3,(H,32,34)/t21-/m1/s1
InChIKeyMNVYQWHDMCUNTE-OAQYLSRUSA-N
XLogP6.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.84
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
CID 154942201
8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154951312
1-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylamino)isoquinoline-6-carboxamide
CID 152677178
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-8-(2-fluorophenyl)-1,7-naphthyridine-3-carboxamide
CID 154942273
7-chloro-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,5-naphthyridine-3-carboxamide
CID 146501502
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide
CID 154942289
methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate
CID 162351959
4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide
CID 168863146
8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-7-fluoroquinoline-3-carboxamide
CID 134497953
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145
4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide (CID 154942170) is N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide is CN(C)c1c(C(=O)N[C@@H]2CCOc3cc(Cl)ccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)nccc12.
What is the InChIKey of N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?
The InChIKey is MNVYQWHDMCUNTE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H21Cl3N4O2/c1-33(2)25-19-5-7-30-23(14-9-16(28)11-17(29)10-14)24(19)31-13-20(25)26(34)32-21-6-8-35-22-12-15(27)3-4-18(21)22/h3-5,7,9-13,21H,6,8H2,1-2H3,(H,32,34)/t21-/m1/s1.
What are the key properties of N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide?
N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide has a molecular weight of 527.84 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 154942170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).