N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide

C19H16N4O3 — CID 171975433

IUPACN-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide
SMILESO=C(c1ccccn1)N(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1
InChIInChI=1S/C19H16N4O3/c24-19(18-11-4-5-12-20-18)22(21-16-8-2-1-3-9-16)14-15-7-6-10-17(13-15)23(25)26/h1-13,21H,14H2
InChIKeyWCTCRKIFVCEWPN-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.66
Rot. Bonds6

About N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide

N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide (PubChem CID 171975433) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide
PubChem CID171975433
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide
SMILESO=C(c1ccccn1)N(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1
InChIInChI=1S/C19H16N4O3/c24-19(18-11-4-5-12-20-18)22(21-16-8-2-1-3-9-16)14-15-7-6-10-17(13-15)23(25)26/h1-13,21H,14H2
InChIKeyWCTCRKIFVCEWPN-UHFFFAOYSA-N
XLogP3.66
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(1,3-benzodioxol-5-ylmethyl)-N'-phenylpyridine-2-carbohydrazide
CID 171975434
N-benzyl-3-nitro-N-pyridin-2-ylbenzamide
CID 799327
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
CID 34020532
6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62234937
3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 27662135
2-[(3-nitrophenyl)methoxy]pyridine
CID 112788687
N-[2-[4-(3-nitrophenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 172594290
N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide
CID 167827408
3-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43461683
3-[[cyclopropyl-[(3-nitrophenyl)methyl]carbamoyl]amino]propanoic acid
CID 122018507
N'-phenyl-N-propan-2-ylpyridine-2-carbohydrazide
CID 171975363
(2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone
CID 118813911

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide?
The IUPAC name of N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide (CID 171975433) is N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide.
What is the SMILES notation for N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide?
The canonical SMILES for N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide is O=C(c1ccccn1)N(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1.
What is the InChIKey of N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide?
The InChIKey is WCTCRKIFVCEWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-19(18-11-4-5-12-20-18)22(21-16-8-2-1-3-9-16)14-15-7-6-10-17(13-15)23(25)26/h1-13,21H,14H2.
What are the key properties of N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide?
N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide has a molecular weight of 348.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methyl]-N'-phenylpyridine-2-carbohydrazide is sourced from PubChem (CID 171975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).