4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

C22H26N6O2 — CID 97443109

IUPAC4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H26N6O2/c1-27-16-17(13-20(27)21(29)23-7-8-28-9-11-30-12-10-28)18-14-24-22(25-15-18)26-19-5-3-2-4-6-19/h2-6,13-16H,7-12H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyBVNURJPYFDDQHN-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.29
Rot. Bonds7

About 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide

4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (PubChem CID 97443109) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
PubChem CID97443109
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
SMILESCn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H26N6O2/c1-27-16-17(13-20(27)21(29)23-7-8-28-9-11-30-12-10-28)18-14-24-22(25-15-18)26-19-5-3-2-4-6-19/h2-6,13-16H,7-12H2,1H3,(H,23,29)(H,24,25,26)
InChIKeyBVNURJPYFDDQHN-UHFFFAOYSA-N
XLogP2.29
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97407343
4-(2-anilinopyrimidin-5-yl)-N-[(2,4-difluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 97361620
N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 10984873
4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 59656712
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109253107
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide
CID 97443112
1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97407332
5-[(4-anilino-5-fluoropyrimidin-2-yl)amino]-N-(2-morpholin-4-ylethyl)-1-benzofuran-2-carboxamide;ethane
CID 91558535
4-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-4-oxobutanoic acid
CID 155539751
N-[1-methyl-5-[[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 11006761
4-formamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 127047136
S-methyl N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamothioate
CID 123406692

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide (CID 97443109) is 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
The InChIKey is BVNURJPYFDDQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-27-16-17(13-20(27)21(29)23-7-8-28-9-11-30-12-10-28)18-14-24-22(25-15-18)26-19-5-3-2-4-6-19/h2-6,13-16H,7-12H2,1H3,(H,23,29)(H,24,25,26).
What are the key properties of 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide?
4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 97443109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).