(Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide

C13H14N4O — CID 143564708

IUPAC(Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide
SMILESC/C(=C/c1cccnc1)C(=O)Nc1cn(C)cn1
InChIInChI=1S/C13H14N4O/c1-10(6-11-4-3-5-14-7-11)13(18)16-12-8-17(2)9-15-12/h3-9H,1-2H3,(H,16,18)/b10-6-
InChIKeyGYDVPJROEKFHHA-POHAHGRESA-N
MW242.28 g/mol
LogP1.86
Rot. Bonds3

About (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide

(Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 143564708) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide
PubChem CID143564708
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide
SMILESC/C(=C/c1cccnc1)C(=O)Nc1cn(C)cn1
InChIInChI=1S/C13H14N4O/c1-10(6-11-4-3-5-14-7-11)13(18)16-12-8-17(2)9-15-12/h3-9H,1-2H3,(H,16,18)/b10-6-
InChIKeyGYDVPJROEKFHHA-POHAHGRESA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(1-methylimidazol-4-yl)acetamide
CID 170992241
2-methyl-N-(1-methylimidazol-4-yl)propanamide
CID 167264755
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 19183466
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(Z)-2-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-phenylprop-2-enamide
CID 153245059
2-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)but-2-enamide
CID 123418622
(E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide
CID 110303995
2-(pyridin-3-ylmethylidene)hexanal
CID 54164984
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 19183690

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide (CID 143564708) is (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide is C/C(=C/c1cccnc1)C(=O)Nc1cn(C)cn1.
What is the InChIKey of (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is GYDVPJROEKFHHA-POHAHGRESA-N. The full InChI is InChI=1S/C13H14N4O/c1-10(6-11-4-3-5-14-7-11)13(18)16-12-8-17(2)9-15-12/h3-9H,1-2H3,(H,16,18)/b10-6-.
What are the key properties of (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide?
(Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(1-methylimidazol-4-yl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 143564708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).