N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide

C26H31N7O2S — CID 121405172

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1cnc(NC2CCN(C(=O)N3CCCCC3)CC2)nc1
InChIInChI=1S/C26H31N7O2S/c27-21-7-6-18(23-5-4-14-36-23)15-22(21)31-24(34)19-16-28-25(29-17-19)30-20-8-12-33(13-9-20)26(35)32-10-2-1-3-11-32/h4-7,14-17,20H,1-3,8-13,27H2,(H,31,34)(H,28,29,30)
InChIKeyGNFTVMIELBEMNK-UHFFFAOYSA-N
MW505.65 g/mol
LogP4.52
Rot. Bonds5

About N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 121405172) has the molecular formula C26H31N7O2S and a molecular weight of 505.65 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID121405172
Molecular FormulaC26H31N7O2S
Molecular Weight505.65 g/mol
Exact Mass505.23
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1cnc(NC2CCN(C(=O)N3CCCCC3)CC2)nc1
InChIInChI=1S/C26H31N7O2S/c27-21-7-6-18(23-5-4-14-36-23)15-22(21)31-24(34)19-16-28-25(29-17-19)30-20-8-12-33(13-9-20)26(35)32-10-2-1-3-11-32/h4-7,14-17,20H,1-3,8-13,27H2,(H,31,34)(H,28,29,30)
InChIKeyGNFTVMIELBEMNK-UHFFFAOYSA-N
XLogP4.52
TPSA116.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.65
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(1-oxo-2,7-diazaspiro[3.5]nonan-7-yl)nicotinamide
CID 44590208
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)nicotinamide
CID 24744322
6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24744793
8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyridin-2-yl)-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 24744797
6-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24745269
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24746434
N-(2-amino-5-(thiophen-3-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24746436
6-(2-Acetyl-2,7-diazaspiro[4.5]dec-7-yl)-N-[2-amino-5-(2-thienyl)phenyl]-nicotinamide
CID 24746437
N2-(2-aminophenyl)-N5-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)thiophene-2,5-dicarboxamide
CID 44572430
N-[4-isopropyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)phenyl]-2-methyl-pyridine-3-carboxamide
CID 49870936
N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-5-thiophen-2-ylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 155415499
8-(2-Phenylethyl)-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one
CID 3234407

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide (CID 121405172) is N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(NC2CCN(C(=O)N3CCCCC3)CC2)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is GNFTVMIELBEMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2S/c27-21-7-6-18(23-5-4-14-36-23)15-22(21)31-24(34)19-16-28-25(29-17-19)30-20-8-12-33(13-9-20)26(35)32-10-2-1-3-11-32/h4-7,14-17,20H,1-3,8-13,27H2,(H,31,34)(H,28,29,30).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 505.65 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 121405172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).