N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide

C23H24F3N5O2 — CID 149208178

IUPACN-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESC=CCn1cc(C(=O)N(C)C2CCN(c3nccc(C(F)(F)F)n3)CC2)c2c(c1=O)CC=C2
InChIInChI=1S/C23H24F3N5O2/c1-3-11-31-14-18(16-5-4-6-17(16)21(31)33)20(32)29(2)15-8-12-30(13-9-15)22-27-10-7-19(28-22)23(24,25)26/h3-5,7,10,14-15H,1,6,8-9,11-13H2,2H3
InChIKeyXGAQRHJEOBRSJN-UHFFFAOYSA-N
MW459.47 g/mol
LogP3.15
Rot. Bonds5

About N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide

N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide (PubChem CID 149208178) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
PubChem CID149208178
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC NameN-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
SMILESC=CCn1cc(C(=O)N(C)C2CCN(c3nccc(C(F)(F)F)n3)CC2)c2c(c1=O)CC=C2
InChIInChI=1S/C23H24F3N5O2/c1-3-11-31-14-18(16-5-4-6-17(16)21(31)33)20(32)29(2)15-8-12-30(13-9-15)22-27-10-7-19(28-22)23(24,25)26/h3-5,7,10,14-15H,1,6,8-9,11-13H2,2H3
InChIKeyXGAQRHJEOBRSJN-UHFFFAOYSA-N
XLogP3.15
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71894291
1-methyl-3-(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazine-1-carbonyl)pyridin-2(1H)-one
CID 91631489
6-oxo-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-1,6-dihydropyridine-3-carboxamide
CID 91631417
N-methyl-3-pyrimidin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 138036984
1-Ethyl-6-methyl-5-pyrimidin-4-yl-3-(trifluoromethyl)pyridin-2-one
CID 23318777
(E)-4,4,4-trifluoro-1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]but-2-en-1-one
CID 71765253
4,4,4-Trifluoro-1-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]but-2-en-1-one
CID 123441424
tert-butyl (3R)-3-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 130308314
N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide
CID 132176628
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 132182657
N-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide
CID 132182754
N,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide
CID 132182757

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The IUPAC name of N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide (CID 149208178) is N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide is C=CCn1cc(C(=O)N(C)C2CCN(c3nccc(C(F)(F)F)n3)CC2)c2c(c1=O)CC=C2.
What is the InChIKey of N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
The InChIKey is XGAQRHJEOBRSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-3-11-31-14-18(16-5-4-6-17(16)21(31)33)20(32)29(2)15-8-12-30(13-9-15)22-27-10-7-19(28-22)23(24,25)26/h3-5,7,10,14-15H,1,6,8-9,11-13H2,2H3.
What are the key properties of N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide?
N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-oxo-2-prop-2-enyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide is sourced from PubChem (CID 149208178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).