7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C18H16N4O3 — CID 112528186

IUPAC7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)Nc2nc3ccccc3o2)C1
InChIInChI=1S/C18H16N4O3/c1-11(23)22-7-6-13-12(10-22)8-19-9-14(13)17(24)21-18-20-15-4-2-3-5-16(15)25-18/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,24)
InChIKeyMNJKDNIPQRVVLC-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.38
Rot. Bonds2

About 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112528186) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112528186
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)Nc2nc3ccccc3o2)C1
InChIInChI=1S/C18H16N4O3/c1-11(23)22-7-6-13-12(10-22)8-19-9-14(13)17(24)21-18-20-15-4-2-3-5-16(15)25-18/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,24)
InChIKeyMNJKDNIPQRVVLC-UHFFFAOYSA-N
XLogP2.38
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(1,3-benzoxazol-2-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528189
7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528023
7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521061
7-acetyl-N-(4-chlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521021
7-acetyl-N-(3,5-dichlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112525367
7-acetyl-N-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571
7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524044
7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462
N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528118
7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529746

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112528186) is 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CC(=O)N1CCc2c(cncc2C(=O)Nc2nc3ccccc3o2)C1.
What is the InChIKey of 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is MNJKDNIPQRVVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11(23)22-7-6-13-12(10-22)8-19-9-14(13)17(24)21-18-20-15-4-2-3-5-16(15)25-18/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,24).
What are the key properties of 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112528186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).