N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C23H27N3O4S — CID 127248389

IUPACN-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(C)ccc1CN1CCOC(c2c(C(=O)NCCO)sc3ncccc23)C1
InChIInChI=1S/C23H27N3O4S/c1-15-5-6-16(18(12-15)29-2)13-26-9-11-30-19(14-26)20-17-4-3-7-25-23(17)31-21(20)22(28)24-8-10-27/h3-7,12,19,27H,8-11,13-14H2,1-2H3,(H,24,28)
InChIKeyNUBPTTWQLHLYFD-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.91
Rot. Bonds7

About N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 127248389) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID127248389
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(C)ccc1CN1CCOC(c2c(C(=O)NCCO)sc3ncccc23)C1
InChIInChI=1S/C23H27N3O4S/c1-15-5-6-16(18(12-15)29-2)13-26-9-11-30-19(14-26)20-17-4-3-7-25-23(17)31-21(20)22(28)24-8-10-27/h3-7,12,19,27H,8-11,13-14H2,1-2H3,(H,24,28)
InChIKeyNUBPTTWQLHLYFD-UHFFFAOYSA-N
XLogP2.91
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-3-[4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248424
N-(2-hydroxyethyl)-3-[(2S)-4-(2-methoxy-2-methylpropanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 129360935
3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 110130540
N-(2-hydroxyethyl)-3-[(2R)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618962
N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110259862
N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95830358
N-[6-[(2S)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 124977478
6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251780
3-[(2R)-4-[(1-acetylindol-3-yl)methyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 125003964
3-[4-(quinolin-2-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110269842
4-[3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]pyrazin-2-yl]benzamide
CID 127251199
N-propan-2-yl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 129360930

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 127248389) is N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is COc1cc(C)ccc1CN1CCOC(c2c(C(=O)NCCO)sc3ncccc23)C1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NUBPTTWQLHLYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-15-5-6-16(18(12-15)29-2)13-26-9-11-30-19(14-26)20-17-4-3-7-25-23(17)31-21(20)22(28)24-8-10-27/h3-7,12,19,27H,8-11,13-14H2,1-2H3,(H,24,28).
What are the key properties of N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?
N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127248389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).