N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide

C24H30N6O3S — CID 67054273

IUPACN-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)NC(CCN(C)C)c2ccc(C(=O)Nc3cscc3N)nc2)c1
InChIInChI=1S/C24H30N6O3S/c1-30(2)10-9-20(29-24(32)27-12-16-5-4-6-18(11-16)33-3)17-7-8-21(26-13-17)23(31)28-22-15-34-14-19(22)25/h4-8,11,13-15,20H,9-10,12,25H2,1-3H3,(H,28,31)(H2,27,29,32)
InChIKeyMYVLLXYPDUECJQ-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.48
Rot. Bonds10

About N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide

N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide (PubChem CID 67054273) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide
PubChem CID67054273
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC NameN-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)NC(CCN(C)C)c2ccc(C(=O)Nc3cscc3N)nc2)c1
InChIInChI=1S/C24H30N6O3S/c1-30(2)10-9-20(29-24(32)27-12-16-5-4-6-18(11-16)33-3)17-7-8-21(26-13-17)23(31)28-22-15-34-14-19(22)25/h4-8,11,13-15,20H,9-10,12,25H2,1-3H3,(H,28,31)(H2,27,29,32)
InChIKeyMYVLLXYPDUECJQ-UHFFFAOYSA-N
XLogP3.48
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide with MolForge

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Related Compounds

tert-butyl N-[4-[[5-[3-(dimethylamino)-1-(pyridin-4-ylmethylcarbamoylamino)propyl]pyridine-2-carbonyl]amino]thiophen-3-yl]carbamate
CID 67054308
1-[[6-[2-(4-aminothiophen-3-yl)acetyl]-3-pyridinyl]methyl]-1-[2-(dimethylamino)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 58208149
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
5-cyano-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63717646
tert-butyl N-[4-[2-[5-[[2-(dimethylamino)ethyl-[(3-methoxyphenyl)methylcarbamoyl]amino]methyl]-2-pyridinyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208056
tert-butyl N-[2-[[5-[4-(dimethylamino)-1-(thiophen-3-ylcarbamoylamino)butyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 68555285
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46493902
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 947246
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
1-[1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 42924542
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 44996182

Frequently Asked Questions

What is the IUPAC name of N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide (CID 67054273) is N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide is COc1cccc(CNC(=O)NC(CCN(C)C)c2ccc(C(=O)Nc3cscc3N)nc2)c1.
What is the InChIKey of N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide?
The InChIKey is MYVLLXYPDUECJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-30(2)10-9-20(29-24(32)27-12-16-5-4-6-18(11-16)33-3)17-7-8-21(26-13-17)23(31)28-22-15-34-14-19(22)25/h4-8,11,13-15,20H,9-10,12,25H2,1-3H3,(H,28,31)(H2,27,29,32).
What are the key properties of N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide?
N-(4-aminothiophen-3-yl)-5-[3-(dimethylamino)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.48, 10 rotatable bonds, 4 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)-1-[(3-methoxyphenyl)methylcarbamoylamino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 67054273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).