N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

C23H27N5O2S — CID 145488614

IUPACN-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESCCCCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1ccsc1
InChIInChI=1S/C23H27N5O2S/c1-2-3-6-12-28(23(30)26-18-11-13-31-16-18)15-17-9-10-21(25-14-17)22(29)27-20-8-5-4-7-19(20)24/h4-5,7-11,13-14,16H,2-3,6,12,15,24H2,1H3,(H,26,30)(H,27,29)
InChIKeyVLSPOTVDBNIRDX-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.20
Rot. Bonds9

About N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 145488614) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
PubChem CID145488614
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
SMILESCCCCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1ccsc1
InChIInChI=1S/C23H27N5O2S/c1-2-3-6-12-28(23(30)26-18-11-13-31-16-18)15-17-9-10-21(25-14-17)22(29)27-20-8-5-4-7-19(20)24/h4-5,7-11,13-14,16H,2-3,6,12,15,24H2,1H3,(H,26,30)(H,27,29)
InChIKeyVLSPOTVDBNIRDX-UHFFFAOYSA-N
XLogP5.20
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide
CID 145488739
N-(2-aminophenyl)-5-[[3-morpholin-4-ylpropyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59224973
N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 44513522
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-(thiophen-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59225169
N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 25029580
N-(2-aminophenyl)-5-[[(3-chlorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 59225101
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 145488767
N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 59225226
N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide
CID 25027313
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029827
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25029829
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25030763

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide (CID 145488614) is N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is CCCCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(=O)Nc1ccsc1.
What is the InChIKey of N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is VLSPOTVDBNIRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-2-3-6-12-28(23(30)26-18-11-13-31-16-18)15-17-9-10-21(25-14-17)22(29)27-20-8-5-4-7-19(20)24/h4-5,7-11,13-14,16H,2-3,6,12,15,24H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 5.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 145488614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).