N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide

C24H29FN6O2S — CID 70252651

IUPACN-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C24H29FN6O2S/c1-30(2)11-12-31(24(33)27-10-9-17-3-6-19(25)7-4-17)14-18-5-8-21(28-13-18)23(32)29-22-16-34-15-20(22)26/h3-8,13,15-16H,9-12,14,26H2,1-2H3,(H,27,33)(H,29,32)
InChIKeyCKDGVJTUEBLTJQ-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.43
Rot. Bonds10

About N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide

N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 70252651) has the molecular formula C24H29FN6O2S and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide
PubChem CID70252651
Molecular FormulaC24H29FN6O2S
Molecular Weight484.60 g/mol
Exact Mass484.21
IUPAC NameN-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C24H29FN6O2S/c1-30(2)11-12-31(24(33)27-10-9-17-3-6-19(25)7-4-17)14-18-5-8-21(28-13-18)23(32)29-22-16-34-15-20(22)26/h3-8,13,15-16H,9-12,14,26H2,1-2H3,(H,27,33)(H,29,32)
InChIKeyCKDGVJTUEBLTJQ-UHFFFAOYSA-N
XLogP3.43
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-phenylphenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide
CID 67054223
N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 67054323
1-[[6-[2-(4-aminothiophen-3-yl)acetyl]-3-pyridinyl]methyl]-1-[2-(dimethylamino)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 58208283
N-(4-aminothiophen-3-yl)-5-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 44513522
1-[[6-[2-(4-aminothiophen-3-yl)acetyl]-3-pyridinyl]methyl]-1-[2-(dimethylamino)ethyl]-3-(3-phenylpropyl)urea
CID 58208085
N-(4-aminothiophen-3-yl)-5-[[3-morpholin-4-ylpropyl(3-phenylpropylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 70252323
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25030763
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-(phenacylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59224948
N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 145488633
N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 67054260
tert-butyl N-[4-[[5-[[2-(dimethylamino)ethyl-(furan-2-ylmethylcarbamoyl)amino]methyl]pyridine-2-carbonyl]amino]thiophen-3-yl]carbamate
CID 67054163
1-[[6-[2-(4-aminothiophen-3-yl)acetyl]-3-pyridinyl]methyl]-1-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 58208057

Frequently Asked Questions

What is the IUPAC name of N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide (CID 70252651) is N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide is CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide?
The InChIKey is CKDGVJTUEBLTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2S/c1-30(2)11-12-31(24(33)27-10-9-17-3-6-19(25)7-4-17)14-18-5-8-21(28-13-18)23(32)29-22-16-34-15-20(22)26/h3-8,13,15-16H,9-12,14,26H2,1-2H3,(H,27,33)(H,29,32).
What are the key properties of N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide?
N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.43, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 70252651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).