2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide

C23H27N5O3S — CID 59525820

IUPAC2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3ccc(N4CCOCC4)nc3)cc2C(N)=O)ccc1C(C)(C)O
InChIInChI=1S/C23H27N5O3S/c1-14-17(23(2,3)30)5-6-19(26-14)27-22-16(21(24)29)12-18(32-22)15-4-7-20(25-13-15)28-8-10-31-11-9-28/h4-7,12-13,30H,8-11H2,1-3H3,(H2,24,29)(H,26,27)
InChIKeyZDYAPPQDIHTBMT-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.42
Rot. Bonds6

About 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide

2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide (PubChem CID 59525820) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
PubChem CID59525820
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3ccc(N4CCOCC4)nc3)cc2C(N)=O)ccc1C(C)(C)O
InChIInChI=1S/C23H27N5O3S/c1-14-17(23(2,3)30)5-6-19(26-14)27-22-16(21(24)29)12-18(32-22)15-4-7-20(25-13-15)28-8-10-31-11-9-28/h4-7,12-13,30H,8-11H2,1-3H3,(H2,24,29)(H,26,27)
InChIKeyZDYAPPQDIHTBMT-UHFFFAOYSA-N
XLogP3.42
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
CID 44554286
5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]amino]thiophene-3-carboxamide
CID 59525683
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 25124467
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-pyridin-1-ium-4-ylthiophene-3-carboxamide
CID 163556947
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyrazol-1-ylphenyl)thiophene-3-carboxamide
CID 25124468
2-(carbamoylamino)-6-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-3-carboxamide
CID 59189952
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(triazol-2-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525928
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 123571753
4-[5-(2-tert-butyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]morpholine
CID 146042376
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
2-(2-morpholin-4-yl-4-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547381

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide?
The IUPAC name of 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide (CID 59525820) is 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide is Cc1nc(Nc2sc(-c3ccc(N4CCOCC4)nc3)cc2C(N)=O)ccc1C(C)(C)O.
What is the InChIKey of 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide?
The InChIKey is ZDYAPPQDIHTBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-14-17(23(2,3)30)5-6-19(26-14)27-22-16(21(24)29)12-18(32-22)15-4-7-20(25-13-15)28-8-10-31-11-9-28/h4-7,12-13,30H,8-11H2,1-3H3,(H2,24,29)(H,26,27).
What are the key properties of 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide?
2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide is sourced from PubChem (CID 59525820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).