(1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide

C21H22N4O2 — CID 124810746

IUPAC(1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1
InChIInChI=1S/C21H22N4O2/c1-25-18(24-21(27)17-8-5-13-22-19(17)25)14-9-11-16(12-10-14)23-20(26)15-6-3-2-4-7-15/h2-3,5,8-13,15,18H,4,6-7H2,1H3,(H,23,26)(H,24,27)/t15-,18+/m1/s1
InChIKeyPALCAFZJRGNDJD-QAPCUYQASA-N
MW362.43 g/mol
LogP3.25
Rot. Bonds3

About (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 124810746) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID124810746
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide
SMILESCN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1
InChIInChI=1S/C21H22N4O2/c1-25-18(24-21(27)17-8-5-13-22-19(17)25)14-9-11-16(12-10-14)23-20(26)15-6-3-2-4-7-15/h2-3,5,8-13,15,18H,4,6-7H2,1H3,(H,23,26)(H,24,27)/t15-,18+/m1/s1
InChIKeyPALCAFZJRGNDJD-QAPCUYQASA-N
XLogP3.25
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide (CID 124810746) is (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide is CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1.
What is the InChIKey of (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is PALCAFZJRGNDJD-QAPCUYQASA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25-18(24-21(27)17-8-5-13-22-19(17)25)14-9-11-16(12-10-14)23-20(26)15-6-3-2-4-7-15/h2-3,5,8-13,15,18H,4,6-7H2,1H3,(H,23,26)(H,24,27)/t15-,18+/m1/s1.
What are the key properties of (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 124810746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).