N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide

C18H19N5O2S — CID 6468629

IUPACN-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1sc(NC(=O)c2ccnn2C)c(C(=O)NCc2cccnc2)c1C
InChIInChI=1S/C18H19N5O2S/c1-11-12(2)26-18(22-16(24)14-6-8-21-23(14)3)15(11)17(25)20-10-13-5-4-7-19-9-13/h4-9H,10H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyZMCZQLDPMPBTAV-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.68
Rot. Bonds5

About N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide

N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 6468629) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID6468629
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1sc(NC(=O)c2ccnn2C)c(C(=O)NCc2cccnc2)c1C
InChIInChI=1S/C18H19N5O2S/c1-11-12(2)26-18(22-16(24)14-6-8-21-23(14)3)15(11)17(25)20-10-13-5-4-7-19-9-13/h4-9H,10H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyZMCZQLDPMPBTAV-UHFFFAOYSA-N
XLogP2.68
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamate
CID 1245323
1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 108813626
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
diethyl 3-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 995667
2-O-ethyl 4-O-methyl 3-methyl-5-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 995658
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
2-[(4-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1033202
3-[[4-ethyl-5-methyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 17377468
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide (CID 6468629) is N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide is Cc1sc(NC(=O)c2ccnn2C)c(C(=O)NCc2cccnc2)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is ZMCZQLDPMPBTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-11-12(2)26-18(22-16(24)14-6-8-21-23(14)3)15(11)17(25)20-10-13-5-4-7-19-9-13/h4-9H,10H2,1-3H3,(H,20,25)(H,22,24).
What are the key properties of N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide?
N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6468629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).