N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide

C24H25N5O3S — CID 164621888

IUPACN-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccsc2NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C24H25N5O3S/c1-15-14-16(2)26-24(25-15)28-21(31)19-10-13-33-22(19)27-20(30)17-6-8-18(9-7-17)23(32)29-11-4-3-5-12-29/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,27,30)(H,25,26,28,31)
InChIKeyCXYIYDVNKGFWMA-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.29
Rot. Bonds5

About N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 164621888) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID164621888
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccsc2NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C24H25N5O3S/c1-15-14-16(2)26-24(25-15)28-21(31)19-10-13-33-22(19)27-20(30)17-6-8-18(9-7-17)23(32)29-11-4-3-5-12-29/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,27,30)(H,25,26,28,31)
InChIKeyCXYIYDVNKGFWMA-UHFFFAOYSA-N
XLogP4.29
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide (CID 164621888) is N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide is Cc1cc(C)nc(NC(=O)c2ccsc2NC(=O)c2ccc(C(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is CXYIYDVNKGFWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-15-14-16(2)26-24(25-15)28-21(31)19-10-13-33-22(19)27-20(30)17-6-8-18(9-7-17)23(32)29-11-4-3-5-12-29/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,27,30)(H,25,26,28,31).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-2-[[4-(piperidine-1-carbonyl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 164621888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).