N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C26H24N6O2S — CID 137429424

IUPACN-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCN(CCc1cccc(C#N)c1)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C26H24N6O2S/c1-31(10-8-18-5-4-6-19(15-18)16-27)26(33)20-17-35-25-22(20)24(32-11-13-34-14-12-32)29-23(30-25)21-7-2-3-9-28-21/h2-7,9,15,17H,8,10-14H2,1H3
InChIKeyTYZGKGMFPJJNNT-UHFFFAOYSA-N
MW484.59 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429424) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429424
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC NameN-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCN(CCc1cccc(C#N)c1)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C26H24N6O2S/c1-31(10-8-18-5-4-6-19(15-18)16-27)26(33)20-17-35-25-22(20)24(32-11-13-34-14-12-32)29-23(30-25)21-7-2-3-9-28-21/h2-7,9,15,17H,8,10-14H2,1H3
InChIKeyTYZGKGMFPJJNNT-UHFFFAOYSA-N
XLogP3.78
TPSA95.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-[2-[3-(methyliminomethyl)phenyl]ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 146395976
N-[2-(5-methoxy-3-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429663
N-[2-(6-methoxy-3-pyridinyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;N-[2-(6-methoxy-3-pyridinyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide;4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 159928780
6-methoxy-1-(4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-5-yl)hexan-1-one
CID 159327659
4-(5-bromo-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 129255881
4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 159200677
4-methyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 139881756
N-(4-methoxybutyl)-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429708
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 142506400
3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 133290956
N-methyl-2-morpholin-4-yl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 39300725
4-(5-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine;4-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 159518607

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429424) is N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is CN(CCc1cccc(C#N)c1)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is TYZGKGMFPJJNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-31(10-8-18-5-4-6-19(15-18)16-27)26(33)20-17-35-25-22(20)24(32-11-13-34-14-12-32)29-23(30-25)21-7-2-3-9-28-21/h2-7,9,15,17H,8,10-14H2,1H3.
What are the key properties of N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 484.59 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanophenyl)ethyl]-N-methyl-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).