N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide

C26H29N3O2 — CID 134252878

IUPACN-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide
SMILESCc1cc(N2CCOC[C@H]2C)ccc1-c1ccc(CC(=O)NCc2ccccc2)nc1
InChIInChI=1S/C26H29N3O2/c1-19-14-24(29-12-13-31-18-20(29)2)10-11-25(19)22-8-9-23(27-17-22)15-26(30)28-16-21-6-4-3-5-7-21/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,28,30)/t20-/m1/s1
InChIKeyLDDIWECUHKAMQF-HXUWFJFHSA-N
MW415.54 g/mol
LogP4.14
Rot. Bonds6

About N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide

N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide (PubChem CID 134252878) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide
PubChem CID134252878
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide
SMILESCc1cc(N2CCOC[C@H]2C)ccc1-c1ccc(CC(=O)NCc2ccccc2)nc1
InChIInChI=1S/C26H29N3O2/c1-19-14-24(29-12-13-31-18-20(29)2)10-11-25(19)22-8-9-23(27-17-22)15-26(30)28-16-21-6-4-3-5-7-21/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,28,30)/t20-/m1/s1
InChIKeyLDDIWECUHKAMQF-HXUWFJFHSA-N
XLogP4.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[2-methyl-4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetic acid;sulfane
CID 158073467
(3R)-4-[4-(6-fluoro-3-pyridinyl)-3-methylphenyl]-3-methylmorpholine
CID 134252909
2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450470
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;2-[5-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide
CID 159739530
N-[(3-fluorophenyl)methyl]-2-[5-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide;sulfane
CID 162073419
N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;methane;methyl 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetate;phenylmethanamine
CID 158207902
N-[(2-ethoxyphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
CID 24944845
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
methyl 4-[4-[6-[2-(benzylamino)-2-oxoethyl]-3-pyridinyl]phenoxy]butanoate
CID 176892869
2-(1H-indol-3-yl)-N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637394
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 43542433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide (CID 134252878) is N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide is Cc1cc(N2CCOC[C@H]2C)ccc1-c1ccc(CC(=O)NCc2ccccc2)nc1.
What is the InChIKey of N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide?
The InChIKey is LDDIWECUHKAMQF-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-14-24(29-12-13-31-18-20(29)2)10-11-25(19)22-8-9-23(27-17-22)15-26(30)28-16-21-6-4-3-5-7-21/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,28,30)/t20-/m1/s1.
What are the key properties of N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[2-methyl-4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 134252878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).