3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide

C25H29N5O3 — CID 42163784

IUPAC3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2cccc(OC)c2)C3)n(C)n1
InChIInChI=1S/C25H29N5O3/c1-5-19-12-23(29(3)28-19)24(31)27-14-22-16(2)26-13-18-15-30(10-9-21(18)22)25(32)17-7-6-8-20(11-17)33-4/h6-8,11-13H,5,9-10,14-15H2,1-4H3,(H,27,31)
InChIKeyOIVKRSYUVQFNOI-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.82
Rot. Bonds6

About 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide

3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 42163784) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID42163784
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2cccc(OC)c2)C3)n(C)n1
InChIInChI=1S/C25H29N5O3/c1-5-19-12-23(29(3)28-19)24(31)27-14-22-16(2)26-13-18-15-30(10-9-21(18)22)25(32)17-7-6-8-20(11-17)33-4/h6-8,11-13H,5,9-10,14-15H2,1-4H3,(H,27,31)
InChIKeyOIVKRSYUVQFNOI-UHFFFAOYSA-N
XLogP2.82
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 42319589
N-[[7-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylacetamide
CID 118755882
6-(3-methoxybenzoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 136529400
N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
CID 42172125
(3-methoxyphenyl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608015
N-[[7-[(2R)-2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-methylthiophene-2-carboxamide
CID 42278292
(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
CID 24731407
N-[[3-methyl-7-(5-methylthiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrazine-2-carboxamide
CID 42325286
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
CID 42434900
N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 45201377
N-[[3-methyl-7-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 42167056

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide (CID 42163784) is 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2cccc(OC)c2)C3)n(C)n1.
What is the InChIKey of 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is OIVKRSYUVQFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-5-19-12-23(29(3)28-19)24(31)27-14-22-16(2)26-13-18-15-30(10-9-21(18)22)25(32)17-7-6-8-20(11-17)33-4/h6-8,11-13H,5,9-10,14-15H2,1-4H3,(H,27,31).
What are the key properties of 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 42163784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).