N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide

C17H19N3O — CID 112521808

IUPACN-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc3c2CCNC3)cc1
InChIInChI=1S/C17H19N3O/c1-12-2-4-13(5-3-12)8-20-17(21)16-11-19-10-14-9-18-7-6-15(14)16/h2-5,10-11,18H,6-9H2,1H3,(H,20,21)
InChIKeyLRQIJRAZOFPOOG-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.97
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide

N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide (PubChem CID 112521808) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
PubChem CID112521808
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc3c2CCNC3)cc1
InChIInChI=1S/C17H19N3O/c1-12-2-4-13(5-3-12)8-20-17(21)16-11-19-10-14-9-18-7-6-15(14)16/h2-5,10-11,18H,6-9H2,1H3,(H,20,21)
InChIKeyLRQIJRAZOFPOOG-UHFFFAOYSA-N
XLogP1.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112528726
N-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112520529
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148
N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112529278
1-methyl-N-(5,6,7,8-tetrahydro-2,7-naphthyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 97463912
N-cyclohexyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112520196
N-(1H-indol-3-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112526913
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
ethyl 5-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522018
7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522292
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
CID 56897206
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide (CID 112521808) is N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide is Cc1ccc(CNC(=O)c2cncc3c2CCNC3)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The InChIKey is LRQIJRAZOFPOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-2-4-13(5-3-12)8-20-17(21)16-11-19-10-14-9-18-7-6-15(14)16/h2-5,10-11,18H,6-9H2,1H3,(H,20,21).
What are the key properties of N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112521808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).