N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C25H23ClN6O4 — CID 118135838

IUPACN-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1noc(C2CCN(C(=O)Cn3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cc4cccnc43)C2)n1
InChIInChI=1S/C25H23ClN6O4/c1-15-29-24(36-30-15)18-8-10-31(13-18)21(33)14-32-22-17(3-2-9-27-22)11-20(25(32)35)23(34)28-12-16-4-6-19(26)7-5-16/h2-7,9,11,18H,8,10,12-14H2,1H3,(H,28,34)
InChIKeyQSDQJJAOVSEIIT-UHFFFAOYSA-N
MW506.95 g/mol
LogP2.69
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118135838) has the molecular formula C25H23ClN6O4 and a molecular weight of 506.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118135838
Molecular FormulaC25H23ClN6O4
Molecular Weight506.95 g/mol
Exact Mass506.15
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1noc(C2CCN(C(=O)Cn3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cc4cccnc43)C2)n1
InChIInChI=1S/C25H23ClN6O4/c1-15-29-24(36-30-15)18-8-10-31(13-18)21(33)14-32-22-17(3-2-9-27-22)11-20(25(32)35)23(34)28-12-16-4-6-19(26)7-5-16/h2-7,9,11,18H,8,10,12-14H2,1H3,(H,28,34)
InChIKeyQSDQJJAOVSEIIT-UHFFFAOYSA-N
XLogP2.69
TPSA123.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.95
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118135838) is N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1noc(C2CCN(C(=O)Cn3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cc4cccnc43)C2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QSDQJJAOVSEIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O4/c1-15-29-24(36-30-15)18-8-10-31(13-18)21(33)14-32-22-17(3-2-9-27-22)11-20(25(32)35)23(34)28-12-16-4-6-19(26)7-5-16/h2-7,9,11,18H,8,10,12-14H2,1H3,(H,28,34).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 506.95 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118135838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).