N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide

C19H28N6O — CID 91796252

IUPACN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)NC2CCN(c3ncccc3C#N)CC2)C1
InChIInChI=1S/C19H28N6O/c1-23(2)17-7-9-24(13-17)14-18(26)22-16-5-10-25(11-6-16)19-15(12-20)4-3-8-21-19/h3-4,8,16-17H,5-7,9-11,13-14H2,1-2H3,(H,22,26)
InChIKeyFFSVTVQMIWRTMC-UHFFFAOYSA-N
MW356.47 g/mol
LogP0.67
Rot. Bonds5

About N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide

N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide (PubChem CID 91796252) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
PubChem CID91796252
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)NC2CCN(c3ncccc3C#N)CC2)C1
InChIInChI=1S/C19H28N6O/c1-23(2)17-7-9-24(13-17)14-18(26)22-16-5-10-25(11-6-16)19-15(12-20)4-3-8-21-19/h3-4,8,16-17H,5-7,9-11,13-14H2,1-2H3,(H,22,26)
InChIKeyFFSVTVQMIWRTMC-UHFFFAOYSA-N
XLogP0.67
TPSA75.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[1-(4-fluorophenyl)piperidin-4-yl]acetamide
CID 124846478
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 134031972
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490147
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide
CID 90349842
2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129476892
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 124755816
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
CID 125444340
2-[3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile
CID 70785868
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 68874368

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide (CID 91796252) is N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide is CN(C)C1CCN(CC(=O)NC2CCN(c3ncccc3C#N)CC2)C1.
What is the InChIKey of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is FFSVTVQMIWRTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23(2)17-7-9-24(13-17)14-18(26)22-16-5-10-25(11-6-16)19-15(12-20)4-3-8-21-19/h3-4,8,16-17H,5-7,9-11,13-14H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide?
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 91796252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).