4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide

C23H21N5O2S — CID 18450846

IUPAC4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12
InChIInChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)
InChIKeyJBKRHKORBCTVLD-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.86
Rot. Bonds4

About 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 18450846) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID18450846
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12
InChIInChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30)
InChIKeyJBKRHKORBCTVLD-UHFFFAOYSA-N
XLogP4.86
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide (CID 18450846) is 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide is CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12.
What is the InChIKey of 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is JBKRHKORBCTVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-13-4-3-5-16(10-13)28-23(30)27-15-8-6-14(7-9-15)18-12-31-20-17(22(29)25-2)11-26-21(24)19(18)20/h3-12H,1-2H3,(H2,24,26)(H,25,29)(H2,27,28,30).
What are the key properties of 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 18450846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).