N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C23H23ClN4O3S — CID 45201377

IUPACN-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)C(C)Oc1cccc(Cl)c1)C2
InChIInChI=1S/C23H23ClN4O3S/c1-14-20(10-27-22(29)21-11-25-13-32-21)19-6-7-28(12-16(19)9-26-14)23(30)15(2)31-18-5-3-4-17(24)8-18/h3-5,8-9,11,13,15H,6-7,10,12H2,1-2H3,(H,27,29)
InChIKeyASVWWFZCFMVFNS-UHFFFAOYSA-N
MW470.98 g/mol
LogP3.78
Rot. Bonds6

About N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 45201377) has the molecular formula C23H23ClN4O3S and a molecular weight of 470.98 g/mol. Its IUPAC name is N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID45201377
Molecular FormulaC23H23ClN4O3S
Molecular Weight470.98 g/mol
Exact Mass470.12
IUPAC NameN-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)C(C)Oc1cccc(Cl)c1)C2
InChIInChI=1S/C23H23ClN4O3S/c1-14-20(10-27-22(29)21-11-25-13-32-21)19-6-7-28(12-16(19)9-26-14)23(30)15(2)31-18-5-3-4-17(24)8-18/h3-5,8-9,11,13,15H,6-7,10,12H2,1-2H3,(H,27,29)
InChIKeyASVWWFZCFMVFNS-UHFFFAOYSA-N
XLogP3.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[[3-methyl-7-[(2R)-2-phenoxypropanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42171867
N-[[7-[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 42484073
2-(3-chlorophenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 4196050
N-[[3-methyl-7-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 45246633
(E)-3-(2-fluorophenyl)-N-[[3-methyl-7-(1,3-thiazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]prop-2-enamide
CID 42319199
5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
CID 42440247
N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
CID 25294645
2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
CID 163338667
N-[[3-methyl-7-(5-methylthiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrazine-2-carboxamide
CID 42325286
5-[2-(3-chlorophenoxy)propanoyl]-1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162401
3-ethyl-N-[[7-(3-methoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 42163784

Frequently Asked Questions

What is the IUPAC name of N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 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) is N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncc2c(c1CNC(=O)c1cncs1)CCN(C(=O)C(C)Oc1cccc(Cl)c1)C2.
What is the InChIKey of N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ASVWWFZCFMVFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3S/c1-14-20(10-27-22(29)21-11-25-13-32-21)19-6-7-28(12-16(19)9-26-14)23(30)15(2)31-18-5-3-4-17(24)8-18/h3-5,8-9,11,13,15H,6-7,10,12H2,1-2H3,(H,27,29).
What are the key properties of N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 470.98 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2-(3-chlorophenoxy)propanoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45201377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).