6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide

C22H23N5O2 — CID 109353616

IUPAC6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)NCCCc3ccccc3)ncn2)cc1
InChIInChI=1S/C22H23N5O2/c1-16(28)26-18-9-11-19(12-10-18)27-21-14-20(24-15-25-21)22(29)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,23,29)(H,26,28)(H,24,25,27)
InChIKeyIHQMGTUQSWPZII-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.54
Rot. Bonds8

About 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide

6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109353616) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109353616
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)NCCCc3ccccc3)ncn2)cc1
InChIInChI=1S/C22H23N5O2/c1-16(28)26-18-9-11-19(12-10-18)27-21-14-20(24-15-25-21)22(29)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,23,29)(H,26,28)(H,24,25,27)
InChIKeyIHQMGTUQSWPZII-UHFFFAOYSA-N
XLogP3.54
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216656
6-(3,4-dimethoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353612
methyl 4-[[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109350619
N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861123
N-(2-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109350612
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350640
N-(3-phenylpropyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109353608
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121699
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109353616) is 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2cc(C(=O)NCCCc3ccccc3)ncn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is IHQMGTUQSWPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16(28)26-18-9-11-19(12-10-18)27-21-14-20(24-15-25-21)22(29)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,23,29)(H,26,28)(H,24,25,27).
What are the key properties of 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).