1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one

C24H25N5O — CID 171147530

IUPAC1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
SMILESCc1cccc(Nc2cc(C3CCN(C(=O)C=Cc4cccnc4)CC3)ccn2)n1
InChIInChI=1S/C24H25N5O/c1-18-4-2-6-22(27-18)28-23-16-21(9-13-26-23)20-10-14-29(15-11-20)24(30)8-7-19-5-3-12-25-17-19/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3,(H,26,27,28)
InChIKeyMIAOWKZZVPZNRK-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.34
Rot. Bonds5

About 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one

1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 171147530) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
PubChem CID171147530
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
SMILESCc1cccc(Nc2cc(C3CCN(C(=O)C=Cc4cccnc4)CC3)ccn2)n1
InChIInChI=1S/C24H25N5O/c1-18-4-2-6-22(27-18)28-23-16-21(9-13-26-23)20-10-14-29(15-11-20)24(30)8-7-19-5-3-12-25-17-19/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3,(H,26,27,28)
InChIKeyMIAOWKZZVPZNRK-UHFFFAOYSA-N
XLogP4.34
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-(1H-imidazol-5-yl)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]prop-2-en-1-one
CID 132765793
(E)-4-(dimethylamino)-1-[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]but-2-en-1-one
CID 132765628
[3-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-pyridazin-3-ylmethanone
CID 110111803
(E)-1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 132765889
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 43170452
1-(3-pyridin-3-ylprop-2-enoyl)piperidine-4-carboxylic acid
CID 74865282
6-methyl-N-[4-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyridin-2-amine
CID 110111465
(E)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 103900724
(E)-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 56784847
(E)-1-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 75407811
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-one
CID 82474288
1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
CID 72550271

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one (CID 171147530) is 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one is Cc1cccc(Nc2cc(C3CCN(C(=O)C=Cc4cccnc4)CC3)ccn2)n1.
What is the InChIKey of 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is MIAOWKZZVPZNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-18-4-2-6-22(27-18)28-23-16-21(9-13-26-23)20-10-14-29(15-11-20)24(30)8-7-19-5-3-12-25-17-19/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3,(H,26,27,28).
What are the key properties of 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one?
1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 399.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-pyridinyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 171147530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).