N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide

C24H26N4O2S — CID 11373909

IUPACN-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C24H26N4O2S/c1-17-12-18(2)14-20(13-17)27-23(29)21-4-3-6-26-24(21)31-16-19-5-7-25-22(15-19)28-8-10-30-11-9-28/h3-7,12-15H,8-11,16H2,1-2H3,(H,27,29)
InChIKeyKQJZPQPHELJOLQ-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.47
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide

N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 11373909) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID11373909
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C24H26N4O2S/c1-17-12-18(2)14-20(13-17)27-23(29)21-4-3-6-26-24(21)31-16-19-5-7-25-22(15-19)28-8-10-30-11-9-28/h3-7,12-15H,8-11,16H2,1-2H3,(H,27,29)
InChIKeyKQJZPQPHELJOLQ-UHFFFAOYSA-N
XLogP4.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide (CID 11373909) is N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(N3CCOCC3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is KQJZPQPHELJOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17-12-18(2)14-20(13-17)27-23(29)21-4-3-6-26-24(21)31-16-19-5-7-25-22(15-19)28-8-10-30-11-9-28/h3-7,12-15H,8-11,16H2,1-2H3,(H,27,29).
What are the key properties of N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[(2-morpholin-4-yl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 11373909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).