N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide

C20H16ClN5O4 — CID 35150034

IUPACN'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C20H16ClN5O4/c21-16-6-2-1-4-14(16)12-23-17-8-7-13(10-18(17)26(29)30)19(27)24-25-20(28)15-5-3-9-22-11-15/h1-11,23H,12H2,(H,24,27)(H,25,28)
InChIKeyYYOVLORXFNDCQU-UHFFFAOYSA-N
MW425.83 g/mol
LogP3.33
Rot. Bonds6

About N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide

N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide (PubChem CID 35150034) has the molecular formula C20H16ClN5O4 and a molecular weight of 425.83 g/mol. Its IUPAC name is N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide
PubChem CID35150034
Molecular FormulaC20H16ClN5O4
Molecular Weight425.83 g/mol
Exact Mass425.09
IUPAC NameN'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C20H16ClN5O4/c21-16-6-2-1-4-14(16)12-23-17-8-7-13(10-18(17)26(29)30)19(27)24-25-20(28)15-5-3-9-22-11-15/h1-11,23H,12H2,(H,24,27)(H,25,28)
InChIKeyYYOVLORXFNDCQU-UHFFFAOYSA-N
XLogP3.33
TPSA126.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.83
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chlorophenyl)methylamino]-3-nitrobenzoate
CID 7062960
4-[(2-chlorophenyl)methylamino]-N-(4-methylphenyl)-3-nitrobenzamide
CID 4676214
4-[(2-chlorophenyl)methylamino]-N'-[2-(2-fluorophenoxy)propanoyl]-3-nitrobenzohydrazide
CID 55342062
4-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 23857410
4-[(2-chlorophenyl)methylamino]-N-(1-cyclopropylethyl)-3-nitrobenzamide
CID 55385214
N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
CID 78969725
4-[(2-chlorophenyl)methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 26881272
4-[(2-chlorophenyl)methylamino]-3-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55369215
[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112790800
[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55851230
[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112771892
4-[(2-chlorophenyl)methylamino]-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 56577359

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide (CID 35150034) is N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1cccnc1.
What is the InChIKey of N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide?
The InChIKey is YYOVLORXFNDCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O4/c21-16-6-2-1-4-14(16)12-23-17-8-7-13(10-18(17)26(29)30)19(27)24-25-20(28)15-5-3-9-22-11-15/h1-11,23H,12H2,(H,24,27)(H,25,28).
What are the key properties of N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide?
N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide has a molecular weight of 425.83 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2-chlorophenyl)methylamino]-3-nitrobenzoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 35150034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).