5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide

C20H18N8O2 — CID 44599298

IUPAC5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide
SMILESCCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(C(N)=O)nc3)cc2[nH]1
InChIInChI=1S/C20H18N8O2/c1-2-22-20(30)28-19-26-15-9-12(11-4-5-14(17(21)29)25-10-11)8-13(16(15)27-19)18-23-6-3-7-24-18/h3-10H,2H2,1H3,(H2,21,29)(H3,22,26,27,28,30)
InChIKeyOGVKFHAEUUNZNJ-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.32
Rot. Bonds5

About 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide

5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide (PubChem CID 44599298) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide
PubChem CID44599298
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide
SMILESCCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(C(N)=O)nc3)cc2[nH]1
InChIInChI=1S/C20H18N8O2/c1-2-22-20(30)28-19-26-15-9-12(11-4-5-14(17(21)29)25-10-11)8-13(16(15)27-19)18-23-6-3-7-24-18/h3-10H,2H2,1H3,(H2,21,29)(H3,22,26,27,28,30)
InChIKeyOGVKFHAEUUNZNJ-UHFFFAOYSA-N
XLogP2.32
TPSA151.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide (CID 44599298) is 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide is CCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(C(N)=O)nc3)cc2[nH]1.
What is the InChIKey of 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
The InChIKey is OGVKFHAEUUNZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c1-2-22-20(30)28-19-26-15-9-12(11-4-5-14(17(21)29)25-10-11)8-13(16(15)27-19)18-23-6-3-7-24-18/h3-10H,2H2,1H3,(H2,21,29)(H3,22,26,27,28,30).
What are the key properties of 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide?
5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylcarbamoylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 44599298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).