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

C18H17N5O2 — CID 112528023

IUPAC7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)Nc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H17N5O2/c1-11(24)23-7-6-13-12(10-23)8-19-9-14(13)17(25)22-18-20-15-4-2-3-5-16(15)21-18/h2-5,8-9H,6-7,10H2,1H3,(H2,20,21,22,25)
InChIKeyAIGHZBDJAFNPRR-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.11
Rot. Bonds2

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

7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112528023) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112528023
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCC(=O)N1CCc2c(cncc2C(=O)Nc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H17N5O2/c1-11(24)23-7-6-13-12(10-23)8-19-9-14(13)17(25)22-18-20-15-4-2-3-5-16(15)21-18/h2-5,8-9H,6-7,10H2,1H3,(H2,20,21,22,25)
InChIKeyAIGHZBDJAFNPRR-UHFFFAOYSA-N
XLogP2.11
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528186
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-(2,3-dimethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522571
7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529746
7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524044
7-acetyl-N-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524858
7-acetyl-N-(3,5-dichlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112525367
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
N-(1H-benzimidazol-2-yl)-4-(methylamino)pyridine-3-carboxamide
CID 81241343
7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305
methyl 5-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520462

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of 7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112528023) is 7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for 7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for 7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CC(=O)N1CCc2c(cncc2C(=O)Nc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is AIGHZBDJAFNPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11(24)23-7-6-13-12(10-23)8-19-9-14(13)17(25)22-18-20-15-4-2-3-5-16(15)21-18/h2-5,8-9H,6-7,10H2,1H3,(H2,20,21,22,25).
What are the key properties of 7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112528023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).