4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide

C23H25N7O2 — CID 68794445

IUPAC4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide
SMILESCN(c1ccccc1)c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C(N)=O
InChIInChI=1S/C23H25N7O2/c1-29(18-10-3-2-4-11-18)21-19(20(24)31)15-25-22(28-21)26-16-8-7-9-17(14-16)27-23(32)30-12-5-6-13-30/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H2,24,31)(H,27,32)(H,25,26,28)
InChIKeyRYFFGNUMWIKMST-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.71
Rot. Bonds6

About 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide

4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide (PubChem CID 68794445) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide
PubChem CID68794445
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide
SMILESCN(c1ccccc1)c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C(N)=O
InChIInChI=1S/C23H25N7O2/c1-29(18-10-3-2-4-11-18)21-19(20(24)31)15-25-22(28-21)26-16-8-7-9-17(14-16)27-23(32)30-12-5-6-13-30/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H2,24,31)(H,27,32)(H,25,26,28)
InChIKeyRYFFGNUMWIKMST-UHFFFAOYSA-N
XLogP3.71
TPSA116.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide
CID 66841709
2-(3-acetamidoanilino)-4-(N-cyclopropylanilino)pyrimidine-5-carboxamide
CID 68757072
4-(benzylamino)-2-[3-(2,5-dihydropyrrole-1-carbonylamino)anilino]pyrimidine-5-carboxamide
CID 66841654
3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propanoic acid
CID 68819718
CID 89198415
CID 89198415
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
CID 89198527
CID 89198527
2-[3-[[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]amino]anilino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 68757613
CID 89198479
CID 89198479
4-(benzylamino)-2-[3-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]anilino]pyrimidine-5-carboxamide
CID 58098906
N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 112883935
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide (CID 68794445) is 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide is CN(c1ccccc1)c1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C(N)=O.
What is the InChIKey of 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide?
The InChIKey is RYFFGNUMWIKMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-29(18-10-3-2-4-11-18)21-19(20(24)31)15-25-22(28-21)26-16-8-7-9-17(14-16)27-23(32)30-12-5-6-13-30/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H2,24,31)(H,27,32)(H,25,26,28).
What are the key properties of 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide?
4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 68794445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).