(2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal

C11H15N3O — CID 175450546

IUPAC(2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal
SMILESCc1ccc(N/N=C(\C=O)C(C)C)nc1
InChIInChI=1S/C11H15N3O/c1-8(2)10(7-15)13-14-11-5-4-9(3)6-12-11/h4-8H,1-3H3,(H,12,14)/b13-10+
InChIKeyMVTHMMAVFGPRHF-JLHYYAGUSA-N
MW205.26 g/mol
LogP2.01
Rot. Bonds4

About (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal

(2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal (PubChem CID 175450546) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal.

Molecular Properties

Compound Name(2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal
PubChem CID175450546
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal
SMILESCc1ccc(N/N=C(\C=O)C(C)C)nc1
InChIInChI=1S/C11H15N3O/c1-8(2)10(7-15)13-14-11-5-4-9(3)6-12-11/h4-8H,1-3H3,(H,12,14)/b13-10+
InChIKeyMVTHMMAVFGPRHF-JLHYYAGUSA-N
XLogP2.01
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,1-dimethoxy-3-methylbutan-2-ylidene)amino]-5-methylpyridin-2-amine
CID 175450514
2-[(5-methyl-2-pyridinyl)amino]prop-2-enal
CID 144725404
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
(E)-4-[(5-methyl-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 6032773
N-methyl-2-[(5-methyl-2-pyridinyl)amino]propanamide
CID 61467777
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
N-[[1,1-dimethoxy-3-(oxan-4-yl)propan-2-ylidene]amino]-5-methylpyridin-2-amine
CID 175450507
(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 94025050
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
CID 79286305
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal?
The IUPAC name of (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal (CID 175450546) is (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal.
What is the SMILES notation for (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal?
The canonical SMILES for (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal is Cc1ccc(N/N=C(\C=O)C(C)C)nc1.
What is the InChIKey of (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal?
The InChIKey is MVTHMMAVFGPRHF-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)10(7-15)13-14-11-5-4-9(3)6-12-11/h4-8H,1-3H3,(H,12,14)/b13-10+.
What are the key properties of (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal?
(2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal has a molecular weight of 205.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-2-[(5-methyl-2-pyridinyl)hydrazinylidene]butanal is sourced from PubChem (CID 175450546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).