4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide

C20H26N6O4 — CID 45487396

IUPAC4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(c3ncccn3)C[C@H]2C)cn1
InChIInChI=1S/C20H26N6O4/c1-13-12-25(20-22-6-5-7-23-20)8-9-26(13)19(28)14(2)30-17-11-24-15(18(27)21-3)10-16(17)29-4/h5-7,10-11,13-14H,8-9,12H2,1-4H3,(H,21,27)/t13-,14+/m1/s1
InChIKeyQIBJARFLROBPQO-KGLIPLIRSA-N
MW414.47 g/mol
LogP0.74
Rot. Bonds6

About 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide

4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 45487396) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
PubChem CID45487396
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC Name4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(c3ncccn3)C[C@H]2C)cn1
InChIInChI=1S/C20H26N6O4/c1-13-12-25(20-22-6-5-7-23-20)8-9-26(13)19(28)14(2)30-17-11-24-15(18(27)21-3)10-16(17)29-4/h5-7,10-11,13-14H,8-9,12H2,1-4H3,(H,21,27)/t13-,14+/m1/s1
InChIKeyQIBJARFLROBPQO-KGLIPLIRSA-N
XLogP0.74
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-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

5-((1S)-2-((2R)-4-benzoyl-2-methyl-piperazin-1-yl)-1-methyl-2-oxo-ethoxy)-4-methoxy-pyridine-2-carboxylic acid methylamide
CID 11655099
(3-ethoxy-6-methyl-2-pyridinyl)-[(1R,4S,6R)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46218917
5-(4-(5-(4-Fluorophenoxy)-4-methoxypyridine-2-carbonyl)piperazin-1-yl)-4-methoxypyridin-2-amine
CID 138674748
5-[(2S)-1-[(2R)-4-isoquinolin-1-yl-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide
CID 11612373
8-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypteridin-7-one
CID 25024304
8-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypyrido[2,3-d]pyrimidin-7-one
CID 56834577
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1,6-naphthyridin-5-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
CID 45487282
4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
CID 45487325
4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide
CID 45487341
5-[(2S)-1-[(2R)-4-(1H-imidazo[4,5-c]pyridin-4-yl)-2-methylpiperazin-1-yl]-1-oxopropan-2-yl]oxy-4-methoxy-N-methylpyridine-2-carboxamide
CID 45487397

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide (CID 45487396) is 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(OC)c(O[C@@H](C)C(=O)N2CCN(c3ncccn3)C[C@H]2C)cn1.
What is the InChIKey of 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is QIBJARFLROBPQO-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H26N6O4/c1-13-12-25(20-22-6-5-7-23-20)8-9-26(13)19(28)14(2)30-17-11-24-15(18(27)21-3)10-16(17)29-4/h5-7,10-11,13-14H,8-9,12H2,1-4H3,(H,21,27)/t13-,14+/m1/s1.
What are the key properties of 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide?
4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-5-[(2S)-1-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-1-oxopropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 45487396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).