N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C19H18ClN3O2 — CID 2492224

IUPACN-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2cccc(Cl)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H18ClN3O2/c1-3-23-11-16(17(24)15-8-7-12(2)22-18(15)23)19(25)21-10-13-5-4-6-14(20)9-13/h4-9,11H,3,10H2,1-2H3,(H,21,25)
InChIKeyLSORATDSFGRROR-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.31
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 2492224) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID2492224
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2cccc(Cl)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H18ClN3O2/c1-3-23-11-16(17(24)15-8-7-12(2)22-18(15)23)19(25)21-10-13-5-4-6-14(20)9-13/h4-9,11H,3,10H2,1-2H3,(H,21,25)
InChIKeyLSORATDSFGRROR-UHFFFAOYSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 2492224) is N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCc2cccc(Cl)c2)c(=O)c2ccc(C)nc21.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LSORATDSFGRROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-3-23-11-16(17(24)15-8-7-12(2)22-18(15)23)19(25)21-10-13-5-4-6-14(20)9-13/h4-9,11H,3,10H2,1-2H3,(H,21,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 2492224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).