3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C21H24N4O2S — CID 17424117

IUPAC3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)NCc3ccc(N4CCOCC4)nc3)sc2n1
InChIInChI=1S/C21H24N4O2S/c1-13-10-14(2)24-21-18(13)15(3)19(28-21)20(26)23-12-16-4-5-17(22-11-16)25-6-8-27-9-7-25/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,26)
InChIKeyYIZQSEVTOQJYKJ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.38
Rot. Bonds4

About 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 17424117) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID17424117
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)NCc3ccc(N4CCOCC4)nc3)sc2n1
InChIInChI=1S/C21H24N4O2S/c1-13-10-14(2)24-21-18(13)15(3)19(28-21)20(26)23-12-16-4-5-17(22-11-16)25-6-8-27-9-7-25/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,26)
InChIKeyYIZQSEVTOQJYKJ-UHFFFAOYSA-N
XLogP3.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 18139639
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 55973275
3,4,6-trimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 17479577
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 46692053
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55847360
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 17424117) is 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)NCc3ccc(N4CCOCC4)nc3)sc2n1.
What is the InChIKey of 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YIZQSEVTOQJYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13-10-14(2)24-21-18(13)15(3)19(28-21)20(26)23-12-16-4-5-17(22-11-16)25-6-8-27-9-7-25/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,26).
What are the key properties of 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 17424117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).