2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide

C24H24N4O2 — CID 86266207

IUPAC2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCn1nc(-c2ccncc2)cc1C
InChIInChI=1S/C24H24N4O2/c1-3-30-22-9-8-18-6-4-5-7-20(18)23(22)24(29)26-14-15-28-17(2)16-21(27-28)19-10-12-25-13-11-19/h4-13,16H,3,14-15H2,1-2H3,(H,26,29)
InChIKeyKMNNXPCDBWOPBR-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.24
Rot. Bonds7

About 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide

2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 86266207) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide
PubChem CID86266207
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCCn1nc(-c2ccncc2)cc1C
InChIInChI=1S/C24H24N4O2/c1-3-30-22-9-8-18-6-4-5-7-20(18)23(22)24(29)26-14-15-28-17(2)16-21(27-28)19-10-12-25-13-11-19/h4-13,16H,3,14-15H2,1-2H3,(H,26,29)
InChIKeyKMNNXPCDBWOPBR-UHFFFAOYSA-N
XLogP4.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 90555383
N-[2-(5-benzyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 41231862
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
CID 35525612
5-bromo-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]furan-2-carboxamide
CID 86266211
3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 41240868
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide
CID 90578907
2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide
CID 121196333
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
CID 41427114

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide (CID 86266207) is 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCCn1nc(-c2ccncc2)cc1C.
What is the InChIKey of 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is KMNNXPCDBWOPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-30-22-9-8-18-6-4-5-7-20(18)23(22)24(29)26-14-15-28-17(2)16-21(27-28)19-10-12-25-13-11-19/h4-13,16H,3,14-15H2,1-2H3,(H,26,29).
What are the key properties of 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide?
2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 86266207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).