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

C19H19BrClN3O2 — CID 166901347

IUPACN-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1Cl)c1cc2c(cn1)CN(C1CC(O)C1)CC2
InChIInChI=1S/C19H19BrClN3O2/c20-15-2-1-3-16(18(15)21)23-19(26)17-6-11-4-5-24(10-12(11)9-22-17)13-7-14(25)8-13/h1-3,6,9,13-14,25H,4-5,7-8,10H2,(H,23,26)
InChIKeyHKBGCORFENRADS-UHFFFAOYSA-N
MW436.74 g/mol
LogP3.63
Rot. Bonds3

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

N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (PubChem CID 166901347) has the molecular formula C19H19BrClN3O2 and a molecular weight of 436.74 g/mol. Its IUPAC name is N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
PubChem CID166901347
Molecular FormulaC19H19BrClN3O2
Molecular Weight436.74 g/mol
Exact Mass435.03
IUPAC NameN-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1Cl)c1cc2c(cn1)CN(C1CC(O)C1)CC2
InChIInChI=1S/C19H19BrClN3O2/c20-15-2-1-3-16(18(15)21)23-19(26)17-6-11-4-5-24(10-12(11)9-22-17)13-7-14(25)8-13/h1-3,6,9,13-14,25H,4-5,7-8,10H2,(H,23,26)
InChIKeyHKBGCORFENRADS-UHFFFAOYSA-N
XLogP3.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.74
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-chlorophenyl)-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 166901341
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-[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
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-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 170046311
(2S)-1-[[6-[[2-chloro-3-[2-chloro-3-[[7-[(2R)-2-hydroxypropyl]-6,8-dihydro-5H-2,7-naphthyridine-3-carbonyl]amino]phenyl]phenyl]carbamoyl]-4-cyclopropyl-3-pyridinyl]methyl]piperidine-2-carboxylic acid
CID 166901397
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182144
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
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-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182869

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (CID 166901347) is N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is O=C(Nc1cccc(Br)c1Cl)c1cc2c(cn1)CN(C1CC(O)C1)CC2.
What is the InChIKey of N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The InChIKey is HKBGCORFENRADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O2/c20-15-2-1-3-16(18(15)21)23-19(26)17-6-11-4-5-24(10-12(11)9-22-17)13-7-14(25)8-13/h1-3,6,9,13-14,25H,4-5,7-8,10H2,(H,23,26).
What are the key properties of N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide has a molecular weight of 436.74 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-chlorophenyl)-7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 166901347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).