N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide

C19H19N3O — CID 15744778

IUPACN-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide
SMILESCC(=O)NC1(c2ccccc2)C2=NCCCN2c2ccccc21
InChIInChI=1S/C19H19N3O/c1-14(23)21-19(15-8-3-2-4-9-15)16-10-5-6-11-17(16)22-13-7-12-20-18(19)22/h2-6,8-11H,7,12-13H2,1H3,(H,21,23)
InChIKeyAZXOONCXFDRYOZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.69
Rot. Bonds2

About N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide

N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide (PubChem CID 15744778) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide.

Molecular Properties

Compound NameN-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide
PubChem CID15744778
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide
SMILESCC(=O)NC1(c2ccccc2)C2=NCCCN2c2ccccc21
InChIInChI=1S/C19H19N3O/c1-14(23)21-19(15-8-3-2-4-9-15)16-10-5-6-11-17(16)22-13-7-12-20-18(19)22/h2-6,8-11H,7,12-13H2,1H3,(H,21,23)
InChIKeyAZXOONCXFDRYOZ-UHFFFAOYSA-N
XLogP2.69
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide?
The IUPAC name of N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide (CID 15744778) is N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide.
What is the SMILES notation for N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide?
The canonical SMILES for N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide is CC(=O)NC1(c2ccccc2)C2=NCCCN2c2ccccc21.
What is the InChIKey of N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide?
The InChIKey is AZXOONCXFDRYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14(23)21-19(15-8-3-2-4-9-15)16-10-5-6-11-17(16)22-13-7-12-20-18(19)22/h2-6,8-11H,7,12-13H2,1H3,(H,21,23).
What are the key properties of N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide?
N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-phenyl-3,4-dihydro-2H-pyrimido[1,2-a]indol-10-yl)acetamide is sourced from PubChem (CID 15744778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).