2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide

C24H27N5O3S — CID 90035896

IUPAC2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
SMILESCc1c(C(=O)NC2CCCCC2)sc2c(C(=O)NC3CC3)c(NC(=O)c3ccccn3)[nH]c12
InChIInChI=1S/C24H27N5O3S/c1-13-18-20(33-19(13)24(32)27-14-7-3-2-4-8-14)17(23(31)26-15-10-11-15)21(28-18)29-22(30)16-9-5-6-12-25-16/h5-6,9,12,14-15,28H,2-4,7-8,10-11H2,1H3,(H,26,31)(H,27,32)(H,29,30)
InChIKeyKVCMKLVMTCYYGQ-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.14
Rot. Bonds6

About 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide

2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide (PubChem CID 90035896) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
PubChem CID90035896
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
SMILESCc1c(C(=O)NC2CCCCC2)sc2c(C(=O)NC3CC3)c(NC(=O)c3ccccn3)[nH]c12
InChIInChI=1S/C24H27N5O3S/c1-13-18-20(33-19(13)24(32)27-14-7-3-2-4-8-14)17(23(31)26-15-10-11-15)21(28-18)29-22(30)16-9-5-6-12-25-16/h5-6,9,12,14-15,28H,2-4,7-8,10-11H2,1H3,(H,26,31)(H,27,32)(H,29,30)
InChIKeyKVCMKLVMTCYYGQ-UHFFFAOYSA-N
XLogP4.14
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
CID 90035522
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
4-N-cycloheptyl-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089379
N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide
CID 155618824
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089442

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide (CID 90035896) is 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide is Cc1c(C(=O)NC2CCCCC2)sc2c(C(=O)NC3CC3)c(NC(=O)c3ccccn3)[nH]c12.
What is the InChIKey of 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide?
The InChIKey is KVCMKLVMTCYYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-13-18-20(33-19(13)24(32)27-14-7-3-2-4-8-14)17(23(31)26-15-10-11-15)21(28-18)29-22(30)16-9-5-6-12-25-16/h5-6,9,12,14-15,28H,2-4,7-8,10-11H2,1H3,(H,26,31)(H,27,32)(H,29,30).
What are the key properties of 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide?
2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide has a molecular weight of 465.58 g/mol, XLogP of 4.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide is sourced from PubChem (CID 90035896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).