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

C18H21N3O2 — CID 112529278

IUPACN-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cncc2c1CCNC2
InChIInChI=1S/C18H21N3O2/c1-23-17-5-3-2-4-13(17)6-9-21-18(22)16-12-20-11-14-10-19-8-7-15(14)16/h2-5,11-12,19H,6-10H2,1H3,(H,21,22)
InChIKeyKCNBGRHRLVDASE-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.71
Rot. Bonds5

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

N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide (PubChem CID 112529278) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
PubChem CID112529278
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cncc2c1CCNC2
InChIInChI=1S/C18H21N3O2/c1-23-17-5-3-2-4-13(17)6-9-21-18(22)16-12-20-11-14-10-19-8-7-15(14)16/h2-5,11-12,19H,6-10H2,1H3,(H,21,22)
InChIKeyKCNBGRHRLVDASE-UHFFFAOYSA-N
XLogP1.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838
N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112520892
N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104421
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260197
N-[2-(2-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226480
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide (CID 112529278) is N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide is COc1ccccc1CCNC(=O)c1cncc2c1CCNC2.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The InChIKey is KCNBGRHRLVDASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-17-5-3-2-4-13(17)6-9-21-18(22)16-12-20-11-14-10-19-8-7-15(14)16/h2-5,11-12,19H,6-10H2,1H3,(H,21,22).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112529278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).