N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide

C27H22N6O — CID 51030833

IUPACN-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C27H22N6O/c1-18(34)31-22-14-20(15-28-16-22)26-32-24-12-7-11-23(19-8-3-2-4-9-19)25(24)27(33-26)30-17-21-10-5-6-13-29-21/h2-16H,17H2,1H3,(H,31,34)(H,30,32,33)
InChIKeyLRVVBPZHOLIFKZ-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.32
Rot. Bonds6

About N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide

N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide (PubChem CID 51030833) has the molecular formula C27H22N6O and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide
PubChem CID51030833
Molecular FormulaC27H22N6O
Molecular Weight446.51 g/mol
Exact Mass446.19
IUPAC NameN-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1
InChIInChI=1S/C27H22N6O/c1-18(34)31-22-14-20(15-28-16-22)26-32-24-12-7-11-23(19-8-3-2-4-9-19)25(24)27(33-26)30-17-21-10-5-6-13-29-21/h2-16H,17H2,1H3,(H,31,34)(H,30,32,33)
InChIKeyLRVVBPZHOLIFKZ-UHFFFAOYSA-N
XLogP5.32
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide (CID 51030833) is N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)c1.
What is the InChIKey of N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide?
The InChIKey is LRVVBPZHOLIFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O/c1-18(34)31-22-14-20(15-28-16-22)26-32-24-12-7-11-23(19-8-3-2-4-9-19)25(24)27(33-26)30-17-21-10-5-6-13-29-21/h2-16H,17H2,1H3,(H,31,34)(H,30,32,33).
What are the key properties of N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide?
N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide has a molecular weight of 446.51 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 51030833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).