1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide

C21H18N6O — CID 67987791

IUPAC1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)cc1
InChIInChI=1S/C21H18N6O/c22-10-14-2-5-17(6-3-14)27-19(28)21(8-1-9-21)16-4-7-18(24-13-16)15-11-25-20(23)26-12-15/h2-7,11-13H,1,8-9H2,(H,27,28)(H2,23,25,26)
InChIKeyPYMKRIBQKJVEAH-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.05
Rot. Bonds4

About 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide

1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide (PubChem CID 67987791) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide
PubChem CID67987791
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)cc1
InChIInChI=1S/C21H18N6O/c22-10-14-2-5-17(6-3-14)27-19(28)21(8-1-9-21)16-4-7-18(24-13-16)15-11-25-20(23)26-12-15/h2-7,11-13H,1,8-9H2,(H,27,28)(H2,23,25,26)
InChIKeyPYMKRIBQKJVEAH-UHFFFAOYSA-N
XLogP3.05
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide (CID 67987791) is 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide is N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)cc1.
What is the InChIKey of 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide?
The InChIKey is PYMKRIBQKJVEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c22-10-14-2-5-17(6-3-14)27-19(28)21(8-1-9-21)16-4-7-18(24-13-16)15-11-25-20(23)26-12-15/h2-7,11-13H,1,8-9H2,(H,27,28)(H2,23,25,26).
What are the key properties of 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide?
1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-(4-cyanophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 67987791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).