N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide

C18H17N5O2 — CID 2244724

IUPACN'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C(\C)NNC(=O)c1ccccn1
InChIInChI=1S/C18H17N5O2/c1-12(20-21-17(24)15-10-6-7-11-19-15)16-13(2)22-23(18(16)25)14-8-4-3-5-9-14/h3-11,20,22H,2H2,1H3,(H,21,24)/b16-12+
InChIKeyUKDNYEUNUQQERQ-FOWTUZBSSA-N
MW335.37 g/mol
LogP0.03
Rot. Bonds4

About N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide

N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide (PubChem CID 2244724) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide
PubChem CID2244724
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C(\C)NNC(=O)c1ccccn1
InChIInChI=1S/C18H17N5O2/c1-12(20-21-17(24)15-10-6-7-11-19-15)16-13(2)22-23(18(16)25)14-8-4-3-5-9-14/h3-11,20,22H,2H2,1H3,(H,21,24)/b16-12+
InChIKeyUKDNYEUNUQQERQ-FOWTUZBSSA-N
XLogP0.03
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 3418233
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2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
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5-methyl-2-phenyl-4-(pyridine-2-carboximidoyl)-1H-pyrazol-3-one
CID 135801072
methyl 2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]acetate
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N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide
CID 74689752
N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
CID 9331191
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
1-amino-3-(pyridine-2-carbonylamino)urea
CID 175507593
N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide
CID 31851493
N-(2-methylprop-2-enoyl)pyridine-2-carboxamide
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acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243

Frequently Asked Questions

What is the IUPAC name of N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide (CID 2244724) is N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide is C=c1[nH]n(-c2ccccc2)c(=O)/c1=C(\C)NNC(=O)c1ccccn1.
What is the InChIKey of N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide?
The InChIKey is UKDNYEUNUQQERQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12(20-21-17(24)15-10-6-7-11-19-15)16-13(2)22-23(18(16)25)14-8-4-3-5-9-14/h3-11,20,22H,2H2,1H3,(H,21,24)/b16-12+.
What are the key properties of N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide?
N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide has a molecular weight of 335.37 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-1-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)ethyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 2244724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).