N-(3,4-dihydropyridin-4-ylmethyl)acetamide

C8H12N2O — CID 153184611

IUPACN-(3,4-dihydropyridin-4-ylmethyl)acetamide
SMILESCC(=O)NCC1C=CN=CC1
InChIInChI=1S/C8H12N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h2,4-5,8H,3,6H2,1H3,(H,10,11)
InChIKeyWGVIWSMWVIWDOO-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.73
Rot. Bonds2

About N-(3,4-dihydropyridin-4-ylmethyl)acetamide

N-(3,4-dihydropyridin-4-ylmethyl)acetamide (PubChem CID 153184611) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-4-ylmethyl)acetamide
PubChem CID153184611
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(3,4-dihydropyridin-4-ylmethyl)acetamide
SMILESCC(=O)NCC1C=CN=CC1
InChIInChI=1S/C8H12N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h2,4-5,8H,3,6H2,1H3,(H,10,11)
InChIKeyWGVIWSMWVIWDOO-UHFFFAOYSA-N
XLogP0.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methylpropyl)-1H-pyrazin-2-one
CID 23036574
N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide
CID 66665544
N-prop-2-enyl-3,4-dihydropyridine-3-carboxamide
CID 69327971
N-[(4-amino-3H-pyridin-4-yl)methyl]acetamide
CID 69449851
N-methyl-3,4-dihydropyridine-3-carboxamide
CID 69523407
N-propan-2-yl-3,4-dihydropyridine-3-carboxamide
CID 69528979
N-[2-(4-methyl-3H-pyridin-4-yl)ethyl]acetamide
CID 70285295
N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70285607
N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70287461
N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide
CID 89313763
N-ethyl-4-(prop-2-enylideneamino)but-3-enamide
CID 123947374
4-methyl-N-propan-2-yl-3H-pyridine-4-carboxamide
CID 124036215

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-4-ylmethyl)acetamide?
The IUPAC name of N-(3,4-dihydropyridin-4-ylmethyl)acetamide (CID 153184611) is N-(3,4-dihydropyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-(3,4-dihydropyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-(3,4-dihydropyridin-4-ylmethyl)acetamide is CC(=O)NCC1C=CN=CC1.
What is the InChIKey of N-(3,4-dihydropyridin-4-ylmethyl)acetamide?
The InChIKey is WGVIWSMWVIWDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h2,4-5,8H,3,6H2,1H3,(H,10,11).
What are the key properties of N-(3,4-dihydropyridin-4-ylmethyl)acetamide?
N-(3,4-dihydropyridin-4-ylmethyl)acetamide has a molecular weight of 152.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 153184611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).