4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide

C20H17N5O — CID 45268224

IUPAC4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide
SMILESCn1cc(-c2nc(N)ncc2-c2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C20H17N5O/c1-25-11-16(14-4-2-3-5-17(14)25)18-15(10-23-20(22)24-18)12-6-8-13(9-7-12)19(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24)
InChIKeyAWDMKXGBNZUABM-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.98
Rot. Bonds3

About 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide

4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide (PubChem CID 45268224) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide
PubChem CID45268224
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide
SMILESCn1cc(-c2nc(N)ncc2-c2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C20H17N5O/c1-25-11-16(14-4-2-3-5-17(14)25)18-15(10-23-20(22)24-18)12-6-8-13(9-7-12)19(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24)
InChIKeyAWDMKXGBNZUABM-UHFFFAOYSA-N
XLogP2.98
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide (CID 45268224) is 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide is Cn1cc(-c2nc(N)ncc2-c2ccc(C(N)=O)cc2)c2ccccc21.
What is the InChIKey of 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide?
The InChIKey is AWDMKXGBNZUABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25-11-16(14-4-2-3-5-17(14)25)18-15(10-23-20(22)24-18)12-6-8-13(9-7-12)19(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24).
What are the key properties of 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide?
4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide has a molecular weight of 343.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 45268224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).