1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one

C17H13N3O — CID 79244292

IUPAC1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one
SMILESNc1ccnc(CN2C(=O)c3cccc4cccc2c34)c1
InChIInChI=1S/C17H13N3O/c18-12-7-8-19-13(9-12)10-20-15-6-2-4-11-3-1-5-14(16(11)15)17(20)21/h1-9H,10H2,(H2,18,19)
InChIKeyYUFHCELLELNIAN-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.98
Rot. Bonds2

About 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one

1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one (PubChem CID 79244292) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one
PubChem CID79244292
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one
SMILESNc1ccnc(CN2C(=O)c3cccc4cccc2c34)c1
InChIInChI=1S/C17H13N3O/c18-12-7-8-19-13(9-12)10-20-15-6-2-4-11-3-1-5-14(16(11)15)17(20)21/h1-9H,10H2,(H2,18,19)
InChIKeyYUFHCELLELNIAN-UHFFFAOYSA-N
XLogP2.98
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]benzo[cd]indol-2-one
CID 104809117
1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]benzo[cd]indol-2-one
CID 51093406
1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
CID 24692767
1-[(2-chloro-3-pyridinyl)methyl]benzo[cd]indol-2-one
CID 62471682
1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one
CID 15023400
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
CID 63459019
1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one
CID 116619012
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)benzo[cd]indol-2-one
CID 166240414
1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
CID 65491106
1-[(4-aminoanilino)methyl]benzo[cd]indol-2-one
CID 4737363
N-(2-aminophenyl)-6-[(2-oxobenzo[cd]indol-1-yl)methyl]pyridine-3-carboxamide
CID 139951411

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one (CID 79244292) is 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one is Nc1ccnc(CN2C(=O)c3cccc4cccc2c34)c1.
What is the InChIKey of 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one?
The InChIKey is YUFHCELLELNIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-12-7-8-19-13(9-12)10-20-15-6-2-4-11-3-1-5-14(16(11)15)17(20)21/h1-9H,10H2,(H2,18,19).
What are the key properties of 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one?
1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one has a molecular weight of 275.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-pyridinyl)methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 79244292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).