N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

C19H16N4O2 — CID 121330370

IUPACN-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc(-c4ccco4)cn3)c2n1
InChIInChI=1S/C19H16N4O2/c1-12-10-13(2)23-8-7-15(18(23)21-12)19(24)22-17-6-5-14(11-20-17)16-4-3-9-25-16/h3-11H,1-2H3,(H,20,22,24)
InChIKeyCCDVZOCQANZEPS-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.86
Rot. Bonds3

About N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide

N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330370) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330370
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)Nc3ccc(-c4ccco4)cn3)c2n1
InChIInChI=1S/C19H16N4O2/c1-12-10-13(2)23-8-7-15(18(23)21-12)19(24)22-17-6-5-14(11-20-17)16-4-3-9-25-16/h3-11H,1-2H3,(H,20,22,24)
InChIKeyCCDVZOCQANZEPS-UHFFFAOYSA-N
XLogP3.86
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330370) is N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)Nc3ccc(-c4ccco4)cn3)c2n1.
What is the InChIKey of N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is CCDVZOCQANZEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-10-13(2)23-8-7-15(18(23)21-12)19(24)22-17-6-5-14(11-20-17)16-4-3-9-25-16/h3-11H,1-2H3,(H,20,22,24).
What are the key properties of N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide?
N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-2-pyridinyl]-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).