5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C23H27N5O2 — CID 86891594

IUPAC5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)c3ccc(C(=O)N(C)C)nc3C)c2)n1
InChIInChI=1S/C23H27N5O2/c1-15-11-16(2)28(26-15)14-19-8-6-7-18(12-19)13-24-22(29)20-9-10-21(25-17(20)3)23(30)27(4)5/h6-12H,13-14H2,1-5H3,(H,24,29)
InChIKeyBVONGBOHTPSFFX-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.88
Rot. Bonds6

About 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86891594) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86891594
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)c3ccc(C(=O)N(C)C)nc3C)c2)n1
InChIInChI=1S/C23H27N5O2/c1-15-11-16(2)28(26-15)14-19-8-6-7-18(12-19)13-24-22(29)20-9-10-21(25-17(20)3)23(30)27(4)5/h6-12H,13-14H2,1-5H3,(H,24,29)
InChIKeyBVONGBOHTPSFFX-UHFFFAOYSA-N
XLogP2.88
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-8-methoxy-2-methylquinoline-3-carboxamide
CID 46978772
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-nitrobenzamide
CID 47059253
5-(diethylsulfamoyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 55768958
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55854510
5-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890470
5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891532
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55990379
N-[[3-(bromomethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 114313153
4-bromo-N-[3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]benzamide
CID 55769248
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-morpholin-4-ylacetamide
CID 75499508
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55855415
2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86890232

Frequently Asked Questions

What is the IUPAC name of 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86891594) is 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc(C(=O)N(C)C)nc3C)c2)n1.
What is the InChIKey of 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is BVONGBOHTPSFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-11-16(2)28(26-15)14-19-8-6-7-18(12-19)13-24-22(29)20-9-10-21(25-17(20)3)23(30)27(4)5/h6-12H,13-14H2,1-5H3,(H,24,29).
What are the key properties of 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86891594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).