N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide

C17H26N6OS — CID 126555602

IUPACN-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide
SMILESCCCN(CC(=O)NCC)C(=S)N/N=C1/CCN(C)c2cccnc21
InChIInChI=1S/C17H26N6OS/c1-4-10-23(12-15(24)18-5-2)17(25)21-20-13-8-11-22(3)14-7-6-9-19-16(13)14/h6-7,9H,4-5,8,10-12H2,1-3H3,(H,18,24)(H,21,25)/b20-13-
InChIKeyAKWSWCNJAHGBOI-MOSHPQCFSA-N
MW362.50 g/mol
LogP1.35
Rot. Bonds6

About N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide

N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide (PubChem CID 126555602) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide
PubChem CID126555602
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC NameN-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide
SMILESCCCN(CC(=O)NCC)C(=S)N/N=C1/CCN(C)c2cccnc21
InChIInChI=1S/C17H26N6OS/c1-4-10-23(12-15(24)18-5-2)17(25)21-20-13-8-11-22(3)14-7-6-9-19-16(13)14/h6-7,9H,4-5,8,10-12H2,1-3H3,(H,18,24)(H,21,25)/b20-13-
InChIKeyAKWSWCNJAHGBOI-MOSHPQCFSA-N
XLogP1.35
TPSA72.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide?
The IUPAC name of N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide (CID 126555602) is N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide?
The canonical SMILES for N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide is CCCN(CC(=O)NCC)C(=S)N/N=C1/CCN(C)c2cccnc21.
What is the InChIKey of N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide?
The InChIKey is AKWSWCNJAHGBOI-MOSHPQCFSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-4-10-23(12-15(24)18-5-2)17(25)21-20-13-8-11-22(3)14-7-6-9-19-16(13)14/h6-7,9H,4-5,8,10-12H2,1-3H3,(H,18,24)(H,21,25)/b20-13-.
What are the key properties of N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide?
N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide has a molecular weight of 362.50 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]carbamothioyl-propylamino]acetamide is sourced from PubChem (CID 126555602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).