6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

C20H18FN5O2 — CID 109348464

IUPAC6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)NCc3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C20H18FN5O2/c1-13(27)25-16-3-2-4-17(9-16)26-19-10-18(23-12-24-19)20(28)22-11-14-5-7-15(21)8-6-14/h2-10,12H,11H2,1H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeyVEUCVTNCCAIFPN-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.25
Rot. Bonds6

About 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109348464) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109348464
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)NCc3ccc(F)cc3)ncn2)c1
InChIInChI=1S/C20H18FN5O2/c1-13(27)25-16-3-2-4-17(9-16)26-19-10-18(23-12-24-19)20(28)22-11-14-5-7-15(21)8-6-14/h2-10,12H,11H2,1H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeyVEUCVTNCCAIFPN-UHFFFAOYSA-N
XLogP3.25
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348491
6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349018
6-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348458
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
4-[[6-[(4-fluorophenyl)methylcarbamoyl]pyrimidin-4-yl]carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 25002841

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109348464) is 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2cc(C(=O)NCc3ccc(F)cc3)ncn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is VEUCVTNCCAIFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13(27)25-16-3-2-4-17(9-16)26-19-10-18(23-12-24-19)20(28)22-11-14-5-7-15(21)8-6-14/h2-10,12H,11H2,1H3,(H,22,28)(H,25,27)(H,23,24,26).
What are the key properties of 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).