N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide

C29H31N5O3 — CID 166921704

IUPACN-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)Cc2ccccc2)cc1-n1cc(-c2cnccc2OCCN2CCOCC2)cn1
InChIInChI=1S/C29H31N5O3/c1-22-7-8-25(32-29(35)17-23-5-3-2-4-6-23)18-27(22)34-21-24(19-31-34)26-20-30-10-9-28(26)37-16-13-33-11-14-36-15-12-33/h2-10,18-21H,11-17H2,1H3,(H,32,35)
InChIKeyWAMAWHMAHHLFIT-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.13
Rot. Bonds9

About N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide

N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide (PubChem CID 166921704) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide
PubChem CID166921704
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC NameN-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide
SMILESCc1ccc(NC(=O)Cc2ccccc2)cc1-n1cc(-c2cnccc2OCCN2CCOCC2)cn1
InChIInChI=1S/C29H31N5O3/c1-22-7-8-25(32-29(35)17-23-5-3-2-4-6-23)18-27(22)34-21-24(19-31-34)26-20-30-10-9-28(26)37-16-13-33-11-14-36-15-12-33/h2-10,18-21H,11-17H2,1H3,(H,32,35)
InChIKeyWAMAWHMAHHLFIT-UHFFFAOYSA-N
XLogP4.13
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 154688818
N-[4-methyl-3-[4-[4-(oxan-4-ylmethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154688798
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline
CID 167147889
N-[4-methyl-3-[4-[5-(oxan-4-yloxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 154688748
2-(2,4-difluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 66927857
2-(2-fluorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68849489
2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide
CID 66928270
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide
CID 24815559
2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68850357
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 66928346

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide (CID 166921704) is N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide is Cc1ccc(NC(=O)Cc2ccccc2)cc1-n1cc(-c2cnccc2OCCN2CCOCC2)cn1.
What is the InChIKey of N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide?
The InChIKey is WAMAWHMAHHLFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-22-7-8-25(32-29(35)17-23-5-3-2-4-6-23)18-27(22)34-21-24(19-31-34)26-20-30-10-9-28(26)37-16-13-33-11-14-36-15-12-33/h2-10,18-21H,11-17H2,1H3,(H,32,35).
What are the key properties of N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide?
N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide has a molecular weight of 497.60 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[4-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-1-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 166921704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).