1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide

C22H21ClF3N5O3 — CID 31397276

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
SMILESC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1=O
InChIInChI=1S/C22H21ClF3N5O3/c1-21(14-5-3-2-4-6-14)19(33)31(20(34)28-21)29-18(32)13-7-9-30(10-8-13)17-16(23)11-15(12-27-17)22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,28,34)(H,29,32)/t21-/m1/s1
InChIKeyIDEOQIDQUHDCGS-OAQYLSRUSA-N
MW495.89 g/mol
LogP3.47
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide (PubChem CID 31397276) has the molecular formula C22H21ClF3N5O3 and a molecular weight of 495.89 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
PubChem CID31397276
Molecular FormulaC22H21ClF3N5O3
Molecular Weight495.89 g/mol
Exact Mass495.13
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
SMILESC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1=O
InChIInChI=1S/C22H21ClF3N5O3/c1-21(14-5-3-2-4-6-14)19(33)31(20(34)28-21)29-18(32)13-7-9-30(10-8-13)17-16(23)11-15(12-27-17)22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,28,34)(H,29,32)/t21-/m1/s1
InChIKeyIDEOQIDQUHDCGS-OAQYLSRUSA-N
XLogP3.47
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.89
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide (CID 31397276) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide is C[C@]1(c2ccccc2)NC(=O)N(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1=O.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
The InChIKey is IDEOQIDQUHDCGS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21ClF3N5O3/c1-21(14-5-3-2-4-6-14)19(33)31(20(34)28-21)29-18(32)13-7-9-30(10-8-13)17-16(23)11-15(12-27-17)22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,28,34)(H,29,32)/t21-/m1/s1.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide has a molecular weight of 495.89 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 31397276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).