3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C20H27N3O3S — CID 129360940

IUPAC3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)CC(=O)N1CCO[C@H](c2c(C(=O)NC(C)C)sc3ncccc23)C1
InChIInChI=1S/C20H27N3O3S/c1-12(2)10-16(24)23-8-9-26-15(11-23)17-14-6-5-7-21-20(14)27-18(17)19(25)22-13(3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,22,25)/t15-/m0/s1
InChIKeyQPAIHCZFAOSKAA-HNNXBMFYSA-N
MW389.52 g/mol
LogP3.38
Rot. Bonds5

About 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 129360940) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID129360940
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)CC(=O)N1CCO[C@H](c2c(C(=O)NC(C)C)sc3ncccc23)C1
InChIInChI=1S/C20H27N3O3S/c1-12(2)10-16(24)23-8-9-26-15(11-23)17-14-6-5-7-21-20(14)27-18(17)19(25)22-13(3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,22,25)/t15-/m0/s1
InChIKeyQPAIHCZFAOSKAA-HNNXBMFYSA-N
XLogP3.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 129360930
3-[4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 110130540
N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110259862
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
N-[2-(dimethylamino)ethyl]-3-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619609
3-[(2R)-4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619603
3-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 127248417
N,N-dimethyl-3-[4-(4-pyridin-2-ylbutanoyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 127248387
N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95830358
3-[4-(1-methyl-6-oxopyridine-3-carbonyl)morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 110251191
2-[(2S)-4-(3-methylbutanoyl)morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92639289

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 129360940) is 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is CC(C)CC(=O)N1CCO[C@H](c2c(C(=O)NC(C)C)sc3ncccc23)C1.
What is the InChIKey of 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QPAIHCZFAOSKAA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-12(2)10-16(24)23-8-9-26-15(11-23)17-14-6-5-7-21-20(14)27-18(17)19(25)22-13(3)4/h5-7,12-13,15H,8-11H2,1-4H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(3-methylbutanoyl)morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 129360940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).