6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane

C29H41N7O2 — CID 167509034

IUPAC6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane
SMILESCC.CC.CC(C)N1CCC(c2cc(NC(=O)c3cccc(/C=C/C(N)=O)n3)n(-c3ccccn3)n2)CC1
InChIInChI=1S/C25H29N7O2.2C2H6/c1-17(2)31-14-11-18(12-15-31)21-16-24(32(30-21)23-8-3-4-13-27-23)29-25(34)20-7-5-6-19(28-20)9-10-22(26)33;2*1-2/h3-10,13,16-18H,11-12,14-15H2,1-2H3,(H2,26,33)(H,29,34);2*1-2H3/b10-9+;;
InChIKeyYLXLWYAOWOSYQJ-TTWKNDKESA-N
MW519.69 g/mol
LogP5.05
Rot. Bonds7

About 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane

6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane (PubChem CID 167509034) has the molecular formula C29H41N7O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane.

Molecular Properties

Compound Name6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane
PubChem CID167509034
Molecular FormulaC29H41N7O2
Molecular Weight519.69 g/mol
Exact Mass519.33
IUPAC Name6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane
SMILESCC.CC.CC(C)N1CCC(c2cc(NC(=O)c3cccc(/C=C/C(N)=O)n3)n(-c3ccccn3)n2)CC1
InChIInChI=1S/C25H29N7O2.2C2H6/c1-17(2)31-14-11-18(12-15-31)21-16-24(32(30-21)23-8-3-4-13-27-23)29-25(34)20-7-5-6-19(28-20)9-10-22(26)33;2*1-2/h3-10,13,16-18H,11-12,14-15H2,1-2H3,(H2,26,33)(H,29,34);2*1-2H3/b10-9+;;
InChIKeyYLXLWYAOWOSYQJ-TTWKNDKESA-N
XLogP5.05
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane with MolForge

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Related Compounds

6-piperazin-1-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide
CID 167509028
N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide
CID 167509025
6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide
CID 167509042
N-[1-(5-methyl-2-pyridinyl)-3-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-5-yl]pyridine-2-carboxamide
CID 167509023
N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
CID 86292051
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclopropanecarboxamide
CID 3966984
N-[1-(5-formyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556296
N-[3-[1-[3-[2-[2-[3-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]cyclopentyl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1-pyridin-2-ylpyrazol-5-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 158889910
N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 140701990
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
2-(1-propan-2-ylpyrrolidin-3-yl)-4-pyridin-2-yl-2,3-dihydroquinoxaline-1-carboxamide
CID 170439392
1-[5-[(5-chlorothiophen-2-yl)methylamino]-3-[1-(2,2,2-trifluoro-1-pyridin-2-ylethyl)piperidin-4-yl]pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 164945145

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane?
The IUPAC name of 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane (CID 167509034) is 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane.
What is the SMILES notation for 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane?
The canonical SMILES for 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane is CC.CC.CC(C)N1CCC(c2cc(NC(=O)c3cccc(/C=C/C(N)=O)n3)n(-c3ccccn3)n2)CC1.
What is the InChIKey of 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane?
The InChIKey is YLXLWYAOWOSYQJ-TTWKNDKESA-N. The full InChI is InChI=1S/C25H29N7O2.2C2H6/c1-17(2)31-14-11-18(12-15-31)21-16-24(32(30-21)23-8-3-4-13-27-23)29-25(34)20-7-5-6-19(28-20)9-10-22(26)33;2*1-2/h3-10,13,16-18H,11-12,14-15H2,1-2H3,(H2,26,33)(H,29,34);2*1-2H3/b10-9+;;.
What are the key properties of 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane?
6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane has a molecular weight of 519.69 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 167509034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).