2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride

C17H24ClN5O — CID 154897785

IUPAC2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)CN1C[C@H](Nc2cccc(C#N)n2)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-21(2)17(23)11-22-9-14(12-6-7-12)15(10-22)20-16-5-3-4-13(8-18)19-16;/h3-5,12,14-15H,6-7,9-11H2,1-2H3,(H,19,20);1H/t14-,15+;/m1./s1
InChIKeyHYXKFEVZJVQYMC-LIOBNPLQSA-N
MW349.87 g/mol
LogP1.59
Rot. Bonds5

About 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride

2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride (PubChem CID 154897785) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride
PubChem CID154897785
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)CN1C[C@H](Nc2cccc(C#N)n2)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-21(2)17(23)11-22-9-14(12-6-7-12)15(10-22)20-16-5-3-4-13(8-18)19-16;/h3-5,12,14-15H,6-7,9-11H2,1-2H3,(H,19,20);1H/t14-,15+;/m1./s1
InChIKeyHYXKFEVZJVQYMC-LIOBNPLQSA-N
XLogP1.59
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride 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

6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
CID 64587165
6-[[(1R,2R)-2-methylcyclopropyl]amino]pyridine-2-carbonitrile
CID 126987207
2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817435
4-[(6-cyano-2-pyridinyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102628059
6-[[(3S,4R)-1-cyclopropylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133129655
6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103680905
6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
CID 79111014
2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 72889329
6-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbonitrile
CID 65471253
2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 121495640
2-[(6-cyano-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762993
2-[4-(2-cyanoanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43762358

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride?
The IUPAC name of 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride (CID 154897785) is 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride.
What is the SMILES notation for 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride?
The canonical SMILES for 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride is CN(C)C(=O)CN1C[C@H](Nc2cccc(C#N)n2)[C@@H](C2CC2)C1.Cl.
What is the InChIKey of 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride?
The InChIKey is HYXKFEVZJVQYMC-LIOBNPLQSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-21(2)17(23)11-22-9-14(12-6-7-12)15(10-22)20-16-5-3-4-13(8-18)19-16;/h3-5,12,14-15H,6-7,9-11H2,1-2H3,(H,19,20);1H/t14-,15+;/m1./s1.
What are the key properties of 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride?
2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[(6-cyano-2-pyridinyl)amino]-4-cyclopropylpyrrolidin-1-yl]-N,N-dimethylacetamide;hydrochloride is sourced from PubChem (CID 154897785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).