6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one

C27H28N4O — CID 10320163

IUPAC6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one
SMILESCn1c(C2CCCN2CCN)cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C27H28N4O/c1-30-25(24-7-4-15-31(24)16-12-28)18-23(20-10-13-29-14-11-20)26(27(30)32)22-9-8-19-5-2-3-6-21(19)17-22/h2-3,5-6,8-11,13-14,17-18,24H,4,7,12,15-16,28H2,1H3
InChIKeySYWWZJQOHDOFFW-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.36
Rot. Bonds5

About 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one

6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one (PubChem CID 10320163) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one
PubChem CID10320163
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one
SMILESCn1c(C2CCCN2CCN)cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
InChIInChI=1S/C27H28N4O/c1-30-25(24-7-4-15-31(24)16-12-28)18-23(20-10-13-29-14-11-20)26(27(30)32)22-9-8-19-5-2-3-6-21(19)17-22/h2-3,5-6,8-11,13-14,17-18,24H,4,7,12,15-16,28H2,1H3
InChIKeySYWWZJQOHDOFFW-UHFFFAOYSA-N
XLogP4.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one?
The IUPAC name of 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one (CID 10320163) is 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one is Cn1c(C2CCCN2CCN)cc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O.
What is the InChIKey of 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one?
The InChIKey is SYWWZJQOHDOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-30-25(24-7-4-15-31(24)16-12-28)18-23(20-10-13-29-14-11-20)26(27(30)32)22-9-8-19-5-2-3-6-21(19)17-22/h2-3,5-6,8-11,13-14,17-18,24H,4,7,12,15-16,28H2,1H3.
What are the key properties of 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one?
6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one has a molecular weight of 424.55 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-aminoethyl)pyrrolidin-2-yl]-1-methyl-3-naphthalen-2-yl-4-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 10320163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).