N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

C18H17BrClN3O — CID 166901341

IUPACN-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1Cl)c1cc2c(cn1)CN(C1CC1)CC2
InChIInChI=1S/C18H17BrClN3O/c19-14-2-1-3-15(17(14)20)22-18(24)16-8-11-6-7-23(13-4-5-13)10-12(11)9-21-16/h1-3,8-9,13H,4-7,10H2,(H,22,24)
InChIKeyIIXRHPXKDXWORE-UHFFFAOYSA-N
MW406.71 g/mol
LogP4.27
Rot. Bonds3

About N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (PubChem CID 166901341) has the molecular formula C18H17BrClN3O and a molecular weight of 406.71 g/mol. Its IUPAC name is N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
PubChem CID166901341
Molecular FormulaC18H17BrClN3O
Molecular Weight406.71 g/mol
Exact Mass405.02
IUPAC NameN-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1Cl)c1cc2c(cn1)CN(C1CC1)CC2
InChIInChI=1S/C18H17BrClN3O/c19-14-2-1-3-15(17(14)20)22-18(24)16-8-11-6-7-23(13-4-5-13)10-12(11)9-21-16/h1-3,8-9,13H,4-7,10H2,(H,22,24)
InChIKeyIIXRHPXKDXWORE-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 166901347
N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 170266121
N-(3-bromo-2-chlorophenyl)-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide
CID 135156432
6-cyclopropyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155157592
4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carbonyl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 166901302
N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 170265453
N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 166901398
N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 170046311
1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122093009
(2S)-1-[[6-[[3-[2-chloro-3-[(7-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridine-3-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-4-cyclopropyl-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 168855395
(2S)-1-[[6-[[3-[3-[[7-[2-(4-carboxy-1-bicyclo[2.2.1]heptanyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-4-cyclopropyl-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 168855363
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (CID 166901341) is N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is O=C(Nc1cccc(Br)c1Cl)c1cc2c(cn1)CN(C1CC1)CC2.
What is the InChIKey of N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The InChIKey is IIXRHPXKDXWORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3O/c19-14-2-1-3-15(17(14)20)22-18(24)16-8-11-6-7-23(13-4-5-13)10-12(11)9-21-16/h1-3,8-9,13H,4-7,10H2,(H,22,24).
What are the key properties of N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide has a molecular weight of 406.71 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 166901341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).