(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide

C17H23N5O — CID 108838681

IUPAC(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
SMILESCc1ccnc(N/C=C(/C#N)C(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C17H23N5O/c1-13-4-7-19-16(10-13)20-12-14(11-18)17(23)22(3)15-5-8-21(2)9-6-15/h4,7,10,12,15H,5-6,8-9H2,1-3H3,(H,19,20)/b14-12-
InChIKeyUIBUIYNKBTXDMT-OWBHPGMISA-N
MW313.40 g/mol
LogP1.76
Rot. Bonds4

About (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide

(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide (PubChem CID 108838681) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
PubChem CID108838681
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide
SMILESCc1ccnc(N/C=C(/C#N)C(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C17H23N5O/c1-13-4-7-19-16(10-13)20-12-14(11-18)17(23)22(3)15-5-8-21(2)9-6-15/h4,7,10,12,15H,5-6,8-9H2,1-3H3,(H,19,20)/b14-12-
InChIKeyUIBUIYNKBTXDMT-OWBHPGMISA-N
XLogP1.76
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

6-((2-((2-((2S)-2-Cyano-1-pyrrolidinyl)-2-oxoethyl)amino)ethyl)amino)-3-pyridinecarbonitrile
CID 9796290
Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
1-(3-Cyanopyridin-2-yl)piperidine-4-carboxamide
CID 2813162
Pelrinone
CID 135413516
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
(2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-cyano-pyridin-2-yl)piperidin-4-yl)glycyl)pyrrolidine-2-carbonitrile
CID 16090844
6-{4-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-cyclohexylamino}-nicotinonitrile
CID 10132708
6-{2-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-2-methyl-propylamino}-nicotinonitrile
CID 11045633
6-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butylamino)-nicotinonitrile
CID 11289193
6-{3-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-propylamino}-nicotinonitrile
CID 11809137
3-methyl-2-[(2R)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 25004597
3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 25004926

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide (CID 108838681) is (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide is Cc1ccnc(N/C=C(/C#N)C(=O)N(C)C2CCN(C)CC2)c1.
What is the InChIKey of (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
The InChIKey is UIBUIYNKBTXDMT-OWBHPGMISA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-4-7-19-16(10-13)20-12-14(11-18)17(23)22(3)15-5-8-21(2)9-6-15/h4,7,10,12,15H,5-6,8-9H2,1-3H3,(H,19,20)/b14-12-.
What are the key properties of (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide?
(Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide has a molecular weight of 313.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-methyl-N-(1-methylpiperidin-4-yl)-3-[(4-methyl-2-pyridinyl)amino]prop-2-enamide is sourced from PubChem (CID 108838681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).