N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

C21H26N6O2S2 — CID 44513522

IUPACN-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccsc1
InChIInChI=1S/C21H26N6O2S2/c1-26(2)7-3-8-27(21(29)24-16-6-9-30-12-16)11-15-4-5-18(23-10-15)20(28)25-19-14-31-13-17(19)22/h4-6,9-10,12-14H,3,7-8,11,22H2,1-2H3,(H,24,29)(H,25,28)
InChIKeySFBIZQNZAJBLCU-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.02
Rot. Bonds9

About N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 44513522) has the molecular formula C21H26N6O2S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
PubChem CID44513522
Molecular FormulaC21H26N6O2S2
Molecular Weight458.61 g/mol
Exact Mass458.16
IUPAC NameN-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccsc1
InChIInChI=1S/C21H26N6O2S2/c1-26(2)7-3-8-27(21(29)24-16-6-9-30-12-16)11-15-4-5-18(23-10-15)20(28)25-19-14-31-13-17(19)22/h4-6,9-10,12-14H,3,7-8,11,22H2,1-2H3,(H,24,29)(H,25,28)
InChIKeySFBIZQNZAJBLCU-UHFFFAOYSA-N
XLogP4.02
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (CID 44513522) is N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is CN(C)CCCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccsc1.
What is the InChIKey of N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is SFBIZQNZAJBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S2/c1-26(2)7-3-8-27(21(29)24-16-6-9-30-12-16)11-15-4-5-18(23-10-15)20(28)25-19-14-31-13-17(19)22/h4-6,9-10,12-14H,3,7-8,11,22H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 44513522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).