N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide

C19H23N7S — CID 126555887

IUPACN-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide
SMILESCN1CC/C(=N/NC(=S)N2CCN(c3ccccn3)CC2)c2ncccc21
InChIInChI=1S/C19H23N7S/c1-24-10-7-15(18-16(24)5-4-9-21-18)22-23-19(27)26-13-11-25(12-14-26)17-6-2-3-8-20-17/h2-6,8-9H,7,10-14H2,1H3,(H,23,27)/b22-15-
InChIKeyJDYYXEBBVODQHZ-JCMHNJIXSA-N
MW381.51 g/mol
LogP1.72
Rot. Bonds2

About N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide

N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide (PubChem CID 126555887) has the molecular formula C19H23N7S and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide
PubChem CID126555887
Molecular FormulaC19H23N7S
Molecular Weight381.51 g/mol
Exact Mass381.17
IUPAC NameN-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide
SMILESCN1CC/C(=N/NC(=S)N2CCN(c3ccccn3)CC2)c2ncccc21
InChIInChI=1S/C19H23N7S/c1-24-10-7-15(18-16(24)5-4-9-21-18)22-23-19(27)26-13-11-25(12-14-26)17-6-2-3-8-20-17/h2-6,8-9H,7,10-14H2,1H3,(H,23,27)/b22-15-
InChIKeyJDYYXEBBVODQHZ-JCMHNJIXSA-N
XLogP1.72
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

4-methyl-N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide
CID 126555626
N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-propan-2-ylpiperazine-1-carbothioamide
CID 126555600
ethane;N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-(4-propan-2-ylphenyl)piperazine-1-carbothioamide
CID 145256005
N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-3-oxo-1,4-diazepane-1-carbothioamide
CID 126555640
N-[(Z)-[1-(1-hydroxyethyl)-2,3-dihydro-1,5-naphthyridin-4-ylidene]amino]-4-(2-methylphenyl)piperazine-1-carbothioamide
CID 145255821
4-(3-hydroxyphenyl)-N-[(Z)-(1-prop-1-en-2-yl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]piperazine-1-carbothioamide
CID 126555891
4-pyridin-2-yl-N-[(Z)-1-quinolin-8-ylethylideneamino]piperazine-1-carbothioamide
CID 5464857
4-pyridin-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]piperazine-1-carbothioamide
CID 25112862
N-[(Z)-[2-amino-3-[(1Z)-buta-1,3-dienyl]cyclohex-2-en-1-ylidene]amino]-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 89140367
4-acetyl-N-[(Z)-2,3-dihydro-1H-1,5-naphthyridin-4-ylideneamino]piperazine-1-carbothioamide
CID 137033746
(3S,5R)-N-[(Z)-(1-acetyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-3,5-dimethylpiperazine-1-carbothioamide
CID 126555664
4-(4-aminophenyl)-N-[(Z)-[1-[[[3-[4-[[(1-methyl-3,4-dihydro-2H-1,5-naphthyridin-4-yl)amino]carbamothioyl]piperazin-1-yl]cyclohexa-1,5-dien-1-yl]amino]methyl]-2,3-dihydro-1,5-naphthyridin-4-ylidene]amino]piperazine-1-carbothioamide
CID 126555932

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide?
The IUPAC name of N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide (CID 126555887) is N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide.
What is the SMILES notation for N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide?
The canonical SMILES for N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide is CN1CC/C(=N/NC(=S)N2CCN(c3ccccn3)CC2)c2ncccc21.
What is the InChIKey of N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide?
The InChIKey is JDYYXEBBVODQHZ-JCMHNJIXSA-N. The full InChI is InChI=1S/C19H23N7S/c1-24-10-7-15(18-16(24)5-4-9-21-18)22-23-19(27)26-13-11-25(12-14-26)17-6-2-3-8-20-17/h2-6,8-9H,7,10-14H2,1H3,(H,23,27)/b22-15-.
What are the key properties of N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide?
N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide has a molecular weight of 381.51 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-methyl-2,3-dihydro-1,5-naphthyridin-4-ylidene)amino]-4-pyridin-2-ylpiperazine-1-carbothioamide is sourced from PubChem (CID 126555887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).