3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide

C20H28ClN5O2 — CID 78822251

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC3CN(CC(C)C)CCO3)n2)n1
InChIInChI=1S/C20H28ClN5O2/c1-13(2)11-25-7-8-28-16(12-25)10-22-20(27)19-17(21)5-6-18(23-19)26-15(4)9-14(3)24-26/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,22,27)
InChIKeyIFHFPOASEVXPTB-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.62
Rot. Bonds6

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 78822251) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide
PubChem CID78822251
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC3CN(CC(C)C)CCO3)n2)n1
InChIInChI=1S/C20H28ClN5O2/c1-13(2)11-25-7-8-28-16(12-25)10-22-20(27)19-17(21)5-6-18(23-19)26-15(4)9-14(3)24-26/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,22,27)
InChIKeyIFHFPOASEVXPTB-UHFFFAOYSA-N
XLogP2.62
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 119620338
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide
CID 2405934
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide
CID 46576170
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
3-benzyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxophthalazine-1-carboxamide
CID 167831678

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide (CID 78822251) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCC3CN(CC(C)C)CCO3)n2)n1.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is IFHFPOASEVXPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O2/c1-13(2)11-25-7-8-28-16(12-25)10-22-20(27)19-17(21)5-6-18(23-19)26-15(4)9-14(3)24-26/h5-6,9,13,16H,7-8,10-12H2,1-4H3,(H,22,27).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 78822251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).