4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide

C17H13FN4O2 — CID 134610472

IUPAC4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide
SMILESCc1ccc(F)c(C(=O)c2c[nH]c(C(=O)Nc3cncnc3)c2)c1
InChIInChI=1S/C17H13FN4O2/c1-10-2-3-14(18)13(4-10)16(23)11-5-15(21-6-11)17(24)22-12-7-19-9-20-8-12/h2-9,21H,1H3,(H,22,24)
InChIKeyOKWAULKKCCPONR-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.74
Rot. Bonds4

About 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide

4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide (PubChem CID 134610472) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide
PubChem CID134610472
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide
SMILESCc1ccc(F)c(C(=O)c2c[nH]c(C(=O)Nc3cncnc3)c2)c1
InChIInChI=1S/C17H13FN4O2/c1-10-2-3-14(18)13(4-10)16(23)11-5-15(21-6-11)17(24)22-12-7-19-9-20-8-12/h2-9,21H,1H3,(H,22,24)
InChIKeyOKWAULKKCCPONR-UHFFFAOYSA-N
XLogP2.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloro-6-fluoro-3-methylbenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 134610564
4-(2,6-difluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
CID 118959104
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
2-fluoro-5-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62904514
2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107589970
4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 9180228
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
4-fluoro-3-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 103738924
5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589993
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide (CID 134610472) is 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide is Cc1ccc(F)c(C(=O)c2c[nH]c(C(=O)Nc3cncnc3)c2)c1.
What is the InChIKey of 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide?
The InChIKey is OKWAULKKCCPONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-10-2-3-14(18)13(4-10)16(23)11-5-15(21-6-11)17(24)22-12-7-19-9-20-8-12/h2-9,21H,1H3,(H,22,24).
What are the key properties of 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide?
4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide has a molecular weight of 324.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylbenzoyl)-N-pyrimidin-5-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134610472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).