(2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide

C22H22FN5O2 — CID 169176571

IUPAC(2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2[C@H](C)OCCN2c2ccccn2)cc1-c1ncc(F)cn1
InChIInChI=1S/C22H22FN5O2/c1-14-6-7-17(11-18(14)21-25-12-16(23)13-26-21)27-22(29)20-15(2)30-10-9-28(20)19-5-3-4-8-24-19/h3-8,11-13,15,20H,9-10H2,1-2H3,(H,27,29)/t15-,20-/m0/s1
InChIKeyVEPYRSCZBHVJIT-YWZLYKJASA-N
MW407.45 g/mol
LogP3.22
Rot. Bonds4

About (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide

(2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide (PubChem CID 169176571) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide
PubChem CID169176571
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name(2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2[C@H](C)OCCN2c2ccccn2)cc1-c1ncc(F)cn1
InChIInChI=1S/C22H22FN5O2/c1-14-6-7-17(11-18(14)21-25-12-16(23)13-26-21)27-22(29)20-15(2)30-10-9-28(20)19-5-3-4-8-24-19/h3-8,11-13,15,20H,9-10H2,1-2H3,(H,27,29)/t15-,20-/m0/s1
InChIKeyVEPYRSCZBHVJIT-YWZLYKJASA-N
XLogP3.22
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-3-iodo-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176862
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide
CID 169176102
(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176226
(2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 169176187
(1R,3R,5R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrimidin-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169176239
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 169175838
(7R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-7-methyl-2-pyrimidin-2-yl-2-azabicyclo[4.1.0]heptane-3-carboxamide
CID 169175899
(1S,3S,5S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrazin-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176763923
(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
CID 169176512
(3R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-4-pyridin-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 169176649
(1R,2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 169176479
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 169176342

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide?
The IUPAC name of (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide (CID 169176571) is (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2[C@H](C)OCCN2c2ccccn2)cc1-c1ncc(F)cn1.
What is the InChIKey of (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide?
The InChIKey is VEPYRSCZBHVJIT-YWZLYKJASA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-14-6-7-17(11-18(14)21-25-12-16(23)13-26-21)27-22(29)20-15(2)30-10-9-28(20)19-5-3-4-8-24-19/h3-8,11-13,15,20H,9-10H2,1-2H3,(H,27,29)/t15-,20-/m0/s1.
What are the key properties of (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide?
(2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-4-pyridin-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 169176571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).