8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide

C18H14BrN3O3 — CID 137371842

IUPAC8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1c[nH]c2c(Br)cncc2c1=O
InChIInChI=1S/C18H14BrN3O3/c19-13-9-20-7-11-16(13)21-8-12(17(11)23)18(24)22-14-5-6-25-15-4-2-1-3-10(14)15/h1-4,7-9,14H,5-6H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyLDYRLLDEMDCGSN-AWEZNQCLSA-N
MW400.23 g/mol
LogP2.94
Rot. Bonds2

About 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide

8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide (PubChem CID 137371842) has the molecular formula C18H14BrN3O3 and a molecular weight of 400.23 g/mol. Its IUPAC name is 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide
PubChem CID137371842
Molecular FormulaC18H14BrN3O3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC Name8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1c[nH]c2c(Br)cncc2c1=O
InChIInChI=1S/C18H14BrN3O3/c19-13-9-20-7-11-16(13)21-8-12(17(11)23)18(24)22-14-5-6-25-15-4-2-1-3-10(14)15/h1-4,7-9,14H,5-6H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyLDYRLLDEMDCGSN-AWEZNQCLSA-N
XLogP2.94
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30602468
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134498034
8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide
CID 146252297
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
CID 63719488
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]cinnoline-3-carboxamide
CID 137372084
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
CID 94179713

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide (CID 137371842) is 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1c[nH]c2c(Br)cncc2c1=O.
What is the InChIKey of 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide?
The InChIKey is LDYRLLDEMDCGSN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14BrN3O3/c19-13-9-20-7-11-16(13)21-8-12(17(11)23)18(24)22-14-5-6-25-15-4-2-1-3-10(14)15/h1-4,7-9,14H,5-6H2,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide?
8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide has a molecular weight of 400.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 137371842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).