7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C23H21N7O5S — CID 142434912

IUPAC7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOc1ccc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)nc1
InChIInChI=1S/C23H21N7O5S/c1-3-35-14-4-5-16(24-7-14)27-21(32)13-8-29(9-13)17-6-12(2)18-19(31)15(22(33)34)10-30(20(18)28-17)23-25-11-26-36-23/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,33,34)(H,24,27,32)
InChIKeyWQMPCTMMWDNUEW-UHFFFAOYSA-N
MW507.53 g/mol
LogP2.11
Rot. Bonds7

About 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434912) has the molecular formula C23H21N7O5S and a molecular weight of 507.53 g/mol. Its IUPAC name is 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434912
Molecular FormulaC23H21N7O5S
Molecular Weight507.53 g/mol
Exact Mass507.13
IUPAC Name7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOc1ccc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)nc1
InChIInChI=1S/C23H21N7O5S/c1-3-35-14-4-5-16(24-7-14)27-21(32)13-8-29(9-13)17-6-12(2)18-19(31)15(22(33)34)10-30(20(18)28-17)23-25-11-26-36-23/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,33,34)(H,24,27,32)
InChIKeyWQMPCTMMWDNUEW-UHFFFAOYSA-N
XLogP2.11
TPSA152.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.53
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434912) is 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is CCOc1ccc(NC(=O)C2CN(c3cc(C)c4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)nc1.
What is the InChIKey of 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is WQMPCTMMWDNUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O5S/c1-3-35-14-4-5-16(24-7-14)27-21(32)13-8-29(9-13)17-6-12(2)18-19(31)15(22(33)34)10-30(20(18)28-17)23-25-11-26-36-23/h4-7,10-11,13H,3,8-9H2,1-2H3,(H,33,34)(H,24,27,32).
What are the key properties of 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 507.53 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(5-ethoxy-2-pyridinyl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).