2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide

C10H12N2O — CID 89097906

IUPAC2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cnccc1C
InChIInChI=1S/C10H12N2O/c1-7(2)10(13)12-9-6-11-5-4-8(9)3/h4-6H,1H2,2-3H3,(H,12,13)
InChIKeyOGKYYRARRXKCRC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.90
Rot. Bonds2

About 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide

2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide (PubChem CID 89097906) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
PubChem CID89097906
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1cnccc1C
InChIInChI=1S/C10H12N2O/c1-7(2)10(13)12-9-6-11-5-4-8(9)3/h4-6H,1H2,2-3H3,(H,12,13)
InChIKeyOGKYYRARRXKCRC-UHFFFAOYSA-N
XLogP1.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
N-(4-methyl-3-pyridinyl)-5-oxohexanamide
CID 75455735
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
N-(4-methyl-3-pyridinyl)-2-(propylamino)acetamide
CID 63327491
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 120503193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide (CID 89097906) is 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide is C=C(C)C(=O)Nc1cnccc1C.
What is the InChIKey of 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide?
The InChIKey is OGKYYRARRXKCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7(2)10(13)12-9-6-11-5-4-8(9)3/h4-6H,1H2,2-3H3,(H,12,13).
What are the key properties of 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide?
2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide has a molecular weight of 176.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 89097906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).