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

C20H30N6O2S — CID 67054323

IUPACN-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2cscc2N)nc1
InChIInChI=1S/C20H30N6O2S/c1-5-14(2)23-20(28)26(9-8-25(3)4)11-15-6-7-17(22-10-15)19(27)24-18-13-29-12-16(18)21/h6-7,10,12-14H,5,8-9,11,21H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyAHOQSUDGLKJCBT-UHFFFAOYSA-N
MW418.57 g/mol
LogP2.85
Rot. Bonds9

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

N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 67054323) has the molecular formula C20H30N6O2S and a molecular weight of 418.57 g/mol. Its IUPAC name is N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
PubChem CID67054323
Molecular FormulaC20H30N6O2S
Molecular Weight418.57 g/mol
Exact Mass418.22
IUPAC NameN-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2cscc2N)nc1
InChIInChI=1S/C20H30N6O2S/c1-5-14(2)23-20(28)26(9-8-25(3)4)11-15-6-7-17(22-10-15)19(27)24-18-13-29-12-16(18)21/h6-7,10,12-14H,5,8-9,11,21H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyAHOQSUDGLKJCBT-UHFFFAOYSA-N
XLogP2.85
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(2-aminophenyl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 59225014
N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide
CID 67054117
N-(4-aminothiophen-3-yl)-5-[[2-(dimethylamino)ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]methyl]pyridine-2-carboxamide
CID 70252651
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-[[3-(dimethylamino)propyl-(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 44513522
N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 145488633
tert-butyl N-[4-[[5-[[butan-2-ylcarbamoyl(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carbonyl]amino]thiophen-3-yl]carbamate
CID 67054128
N-(4-aminothiophen-3-yl)-4-[[cyclopentylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]benzamide
CID 67054260
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-(phenacylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59224948
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25030763
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-(3-phenylpropyl)urea
CID 58208085

Frequently Asked Questions

What is the IUPAC name of N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide (CID 67054323) is N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide is CCC(C)NC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2cscc2N)nc1.
What is the InChIKey of N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?
The InChIKey is AHOQSUDGLKJCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2S/c1-5-14(2)23-20(28)26(9-8-25(3)4)11-15-6-7-17(22-10-15)19(27)24-18-13-29-12-16(18)21/h6-7,10,12-14H,5,8-9,11,21H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?
N-(4-aminothiophen-3-yl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 418.57 g/mol, XLogP of 2.85, 9 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-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 67054323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).