4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide

C16H18Cl2N8O — CID 145131118

IUPAC4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NC/C(=N/N)NN)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C16H18Cl2N8O/c1-8(19)13-14(18)11(6-22-15(13)23-7-12(25-20)26-21)16(27)24-10-4-2-9(17)3-5-10/h2-6,19H,7,20-21H2,1H3,(H,22,23)(H,24,27)(H,25,26)/b19-8+
InChIKeyKHHKADUQNLSVMX-UFWORHAWSA-N
MW409.28 g/mol
LogP2.18
Rot. Bonds6

About 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide

4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide (PubChem CID 145131118) has the molecular formula C16H18Cl2N8O and a molecular weight of 409.28 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide
PubChem CID145131118
Molecular FormulaC16H18Cl2N8O
Molecular Weight409.28 g/mol
Exact Mass408.10
IUPAC Name4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NC/C(=N/N)NN)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C16H18Cl2N8O/c1-8(19)13-14(18)11(6-22-15(13)23-7-12(25-20)26-21)16(27)24-10-4-2-9(17)3-5-10/h2-6,19H,7,20-21H2,1H3,(H,22,23)(H,24,27)(H,25,26)/b19-8+
InChIKeyKHHKADUQNLSVMX-UFWORHAWSA-N
XLogP2.18
TPSA154.30 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.28
LogP ≤ 52.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 145130837
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 145131051
6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 145131074
4-chloro-5-ethanimidoyl-N-[4-(9-methoxynonoxy)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 145130854
4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane
CID 145131091
4-chloro-5-ethanimidoyl-6-[(1-propan-2-ylpiperidin-4-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 145131064
N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane
CID 145131079
4-chloro-N-(4-chlorophenyl)-5-methanimidoyl-6-(thian-4-ylamino)pyridine-3-carboxamide
CID 145131031
N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080138
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253003
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide (CID 145131118) is 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide is [H]/N=C(\C)c1c(NC/C(=N/N)NN)ncc(C(=O)Nc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide?
The InChIKey is KHHKADUQNLSVMX-UFWORHAWSA-N. The full InChI is InChI=1S/C16H18Cl2N8O/c1-8(19)13-14(18)11(6-22-15(13)23-7-12(25-20)26-21)16(27)24-10-4-2-9(17)3-5-10/h2-6,19H,7,20-21H2,1H3,(H,22,23)(H,24,27)(H,25,26)/b19-8+.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide?
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide has a molecular weight of 409.28 g/mol, XLogP of 2.18, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 145131118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).