2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide

C9H13N3O — CID 130678886

IUPAC2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CC=C(C#N)CC1
InChIInChI=1S/C9H13N3O/c1-11-9(13)7-12-4-2-8(6-10)3-5-12/h2H,3-5,7H2,1H3,(H,11,13)
InChIKeyMTNUEQVOUDMDHX-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.11
Rot. Bonds2

About 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide

2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide (PubChem CID 130678886) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide
PubChem CID130678886
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CC=C(C#N)CC1
InChIInChI=1S/C9H13N3O/c1-11-9(13)7-12-4-2-8(6-10)3-5-12/h2H,3-5,7H2,1H3,(H,11,13)
InChIKeyMTNUEQVOUDMDHX-UHFFFAOYSA-N
XLogP-0.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 131086113
1-pentyl-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003251
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
2-[4-(5-acetyl-2-cyanophenyl)piperazin-1-yl]-N-methylacetamide
CID 133442097
2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 115675555
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 94506791
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
CID 63339132
1-(bromomethylsulfonyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 130652131
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-methyl-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetamide
CID 139573239

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide (CID 130678886) is 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide is CNC(=O)CN1CC=C(C#N)CC1.
What is the InChIKey of 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide?
The InChIKey is MTNUEQVOUDMDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-9(13)7-12-4-2-8(6-10)3-5-12/h2H,3-5,7H2,1H3,(H,11,13).
What are the key properties of 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide?
2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide has a molecular weight of 179.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3,6-dihydro-2H-pyridin-1-yl)-N-methylacetamide is sourced from PubChem (CID 130678886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).