1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide

C25H27N7O4 — CID 58205221

IUPAC1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCNc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc(NC(=O)c2ccc(C(=O)N(C)C)cc2)n1
InChIInChI=1S/C25H27N7O4/c1-26-19-14-20(27-21(33)15-6-10-17(11-7-15)23(35)31(2)3)29-25(28-19)30-22(34)16-8-12-18(13-9-16)24(36)32(4)5/h6-14H,1-5H3,(H3,26,27,28,29,30,33,34)
InChIKeySXDKGNREFDWRFD-UHFFFAOYSA-N
MW489.54 g/mol
LogP2.43
Rot. Bonds7

About 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide

1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (PubChem CID 58205221) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
PubChem CID58205221
Molecular FormulaC25H27N7O4
Molecular Weight489.54 g/mol
Exact Mass489.21
IUPAC Name1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCNc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc(NC(=O)c2ccc(C(=O)N(C)C)cc2)n1
InChIInChI=1S/C25H27N7O4/c1-26-19-14-20(27-21(33)15-6-10-17(11-7-15)23(35)31(2)3)29-25(28-19)30-22(34)16-8-12-18(13-9-16)24(36)32(4)5/h6-14H,1-5H3,(H3,26,27,28,29,30,33,34)
InChIKeySXDKGNREFDWRFD-UHFFFAOYSA-N
XLogP2.43
TPSA136.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide with MolForge

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Related Compounds

4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
CID 58205190
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide
CID 58205176
N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide
CID 58205233
4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 58205174
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 66810040
N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide
CID 58205178
1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 66646483
N-[6-(dimethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389150
3-benzamido-N,N-dimethyl-1H-1,2,4-triazole-5-carboxamide
CID 23771252
5-(3-chloro-4-fluorophenyl)-N-[6-(methylamino)-2-(prop-1-en-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 162475230
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide
CID 58205143

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (CID 58205221) is 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is CNc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc(NC(=O)c2ccc(C(=O)N(C)C)cc2)n1.
What is the InChIKey of 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The InChIKey is SXDKGNREFDWRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-26-19-14-20(27-21(33)15-6-10-17(11-7-15)23(35)31(2)3)29-25(28-19)30-22(34)16-8-12-18(13-9-16)24(36)32(4)5/h6-14H,1-5H3,(H3,26,27,28,29,30,33,34).
What are the key properties of 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide has a molecular weight of 489.54 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 58205221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).