6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide

C21H20N6O2 — CID 67987851

IUPAC6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1
InChIInChI=1S/C21H20N6O2/c22-18(28)14-4-7-17(24-10-14)27-19(29)21(8-1-9-21)16-5-2-13(3-6-16)15-11-25-20(23)26-12-15/h2-7,10-12H,1,8-9H2,(H2,22,28)(H2,23,25,26)(H,24,27,29)
InChIKeyVSKMZPMKJNMYQB-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.28
Rot. Bonds5

About 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide

6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide (PubChem CID 67987851) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide
PubChem CID67987851
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1
InChIInChI=1S/C21H20N6O2/c22-18(28)14-4-7-17(24-10-14)27-19(29)21(8-1-9-21)16-5-2-13(3-6-16)15-11-25-20(23)26-12-15/h2-7,10-12H,1,8-9H2,(H2,22,28)(H2,23,25,26)(H,24,27,29)
InChIKeyVSKMZPMKJNMYQB-UHFFFAOYSA-N
XLogP2.28
TPSA136.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide (CID 67987851) is 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide is NC(=O)c1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCC2)nc1.
What is the InChIKey of 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide?
The InChIKey is VSKMZPMKJNMYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c22-18(28)14-4-7-17(24-10-14)27-19(29)21(8-1-9-21)16-5-2-13(3-6-16)15-11-25-20(23)26-12-15/h2-7,10-12H,1,8-9H2,(H2,22,28)(H2,23,25,26)(H,24,27,29).
What are the key properties of 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide?
6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 67987851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).