2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide

C16H14N4O — CID 90415520

IUPAC2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(-c3cncnc3)cc2)cc1C(N)=O
InChIInChI=1S/C16H14N4O/c1-10-14(16(17)21)6-15(20-10)12-4-2-11(3-5-12)13-7-18-9-19-8-13/h2-9,20H,1H3,(H2,17,21)
InChIKeyAMDNRRRGLHCEJL-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.55
Rot. Bonds3

About 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide

2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 90415520) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID90415520
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(-c3cncnc3)cc2)cc1C(N)=O
InChIInChI=1S/C16H14N4O/c1-10-14(16(17)21)6-15(20-10)12-4-2-11(3-5-12)13-7-18-9-19-8-13/h2-9,20H,1H3,(H2,17,21)
InChIKeyAMDNRRRGLHCEJL-UHFFFAOYSA-N
XLogP2.55
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide (CID 90415520) is 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccc(-c3cncnc3)cc2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is AMDNRRRGLHCEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-14(16(17)21)6-15(20-10)12-4-2-11(3-5-12)13-7-18-9-19-8-13/h2-9,20H,1H3,(H2,17,21).
What are the key properties of 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide?
2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90415520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).