N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C24H32N4O3 — CID 91669010

IUPACN-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCOCC4C)n3)C2)cc1
InChIInChI=1S/C24H32N4O3/c1-17-16-30-14-13-28(17)24-6-4-5-23(26-24)27-12-11-22(15-27)31-21-9-7-20(8-10-21)18(2)25-19(3)29/h4-10,17-18,22H,11-16H2,1-3H3,(H,25,29)/t17?,18-,22+/m0/s1
InChIKeyZKHQQEYBCNGUIG-RXJZEZJSSA-N
MW424.55 g/mol
LogP3.16
Rot. Bonds6

About N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 91669010) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID91669010
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCOCC4C)n3)C2)cc1
InChIInChI=1S/C24H32N4O3/c1-17-16-30-14-13-28(17)24-6-4-5-23(26-24)27-12-11-22(15-27)31-21-9-7-20(8-10-21)18(2)25-19(3)29/h4-10,17-18,22H,11-16H2,1-3H3,(H,25,29)/t17?,18-,22+/m0/s1
InChIKeyZKHQQEYBCNGUIG-RXJZEZJSSA-N
XLogP3.16
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
1-[3-[[(1R,5S)-3-[(7-propan-2-yloxyquinolin-2-yl)amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-2-en-9-yl]ethanone
CID 44455507
6-(4-fluorophenyl)-4-(4-methoxybenzyl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273795
6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592009
(R)-6-(2,2-dimethyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592011
6-((2S,5R)-2-(methoxymethyl)-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996137
6-((2S,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 66996560
(4S)-3-[2-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489748
N-(2-methoxy-1-(4-(trifluoromethoxy)phenyl)ethyl)-6-methyl-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide
CID 117949190
N-[5-[[3-(3-hydroxypyrrolidin-1-yl)-6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]oxy]-2-methylphenyl]prop-2-enamide
CID 146685679
N-[5-[[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-pyrrolidin-1-yl-2-pyridinyl]oxy]-2-methylphenyl]prop-2-enamide
CID 148018738
N-[(4-Ethoxy-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N-(2-methoxy-ethyl)-N'-pyridin-2-yl-succinamide
CID 3205178

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 91669010) is N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N4CCOCC4C)n3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is ZKHQQEYBCNGUIG-RXJZEZJSSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-17-16-30-14-13-28(17)24-6-4-5-23(26-24)27-12-11-22(15-27)31-21-9-7-20(8-10-21)18(2)25-19(3)29/h4-10,17-18,22H,11-16H2,1-3H3,(H,25,29)/t17?,18-,22+/m0/s1.
What are the key properties of N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 91669010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).