N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide

C21H21N3O — CID 50970090

IUPACN-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)c1cc2cccnc2nc1C
InChIInChI=1S/C21H21N3O/c1-3-24(14-8-11-17-9-5-4-6-10-17)21(25)19-15-18-12-7-13-22-20(18)23-16(19)2/h4-13,15H,3,14H2,1-2H3/b11-8+
InChIKeyZDWKVXFLXIGETG-DHZHZOJOSA-N
MW331.42 g/mol
LogP4.11
Rot. Bonds5

About N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide

N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 50970090) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide
PubChem CID50970090
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)c1cc2cccnc2nc1C
InChIInChI=1S/C21H21N3O/c1-3-24(14-8-11-17-9-5-4-6-10-17)21(25)19-15-18-12-7-13-22-20(18)23-16(19)2/h4-13,15H,3,14H2,1-2H3/b11-8+
InChIKeyZDWKVXFLXIGETG-DHZHZOJOSA-N
XLogP4.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide (CID 50970090) is N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide is CCN(C/C=C/c1ccccc1)C(=O)c1cc2cccnc2nc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZDWKVXFLXIGETG-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-24(14-8-11-17-9-5-4-6-10-17)21(25)19-15-18-12-7-13-22-20(18)23-16(19)2/h4-13,15H,3,14H2,1-2H3/b11-8+.
What are the key properties of N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide?
N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 50970090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).