3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide

C14H20N2O — CID 51088401

IUPAC3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
SMILESCC(C)=CC(=O)N(Cc1ccccn1)C(C)C
InChIInChI=1S/C14H20N2O/c1-11(2)9-14(17)16(12(3)4)10-13-7-5-6-8-15-13/h5-9,12H,10H2,1-4H3
InChIKeyBLGZRUAAFYWITI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.78
Rot. Bonds4

About 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide

3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide (PubChem CID 51088401) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
PubChem CID51088401
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
SMILESCC(C)=CC(=O)N(Cc1ccccn1)C(C)C
InChIInChI=1S/C14H20N2O/c1-11(2)9-14(17)16(12(3)4)10-13-7-5-6-8-15-13/h5-9,12H,10H2,1-4H3
InChIKeyBLGZRUAAFYWITI-UHFFFAOYSA-N
XLogP2.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 116676557
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 107909493
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
N-propan-2-yl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61036038
4-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63103234
N-propan-2-yl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 51088398
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 54872425
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide?
The IUPAC name of 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide (CID 51088401) is 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide is CC(C)=CC(=O)N(Cc1ccccn1)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide?
The InChIKey is BLGZRUAAFYWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)9-14(17)16(12(3)4)10-13-7-5-6-8-15-13/h5-9,12H,10H2,1-4H3.
What are the key properties of 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide?
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide has a molecular weight of 232.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 51088401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).