(4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one

C27H27N3O — CID 91282038

IUPAC(4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one
SMILESCN1C(=O)C(c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(-c3cccnc3)c2)C=C1N
InChIInChI=1S/C27H27N3O/c1-27(23-7-3-5-21(15-23)22-6-4-14-29-17-22)16-24(28)30(2)26(31)25(27)20-12-10-19(11-13-20)18-8-9-18/h3-7,10-18,25H,8-9,28H2,1-2H3/t25?,27-/m1/s1
InChIKeyAGDCTLXZQHWPAH-ZCJYOONXSA-N
MW409.53 g/mol
LogP4.94
Rot. Bonds4

About (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one

(4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one (PubChem CID 91282038) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one.

Molecular Properties

Compound Name(4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one
PubChem CID91282038
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name(4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one
SMILESCN1C(=O)C(c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(-c3cccnc3)c2)C=C1N
InChIInChI=1S/C27H27N3O/c1-27(23-7-3-5-21(15-23)22-6-4-14-29-17-22)16-24(28)30(2)26(31)25(27)20-12-10-19(11-13-20)18-8-9-18/h3-7,10-18,25H,8-9,28H2,1-2H3/t25?,27-/m1/s1
InChIKeyAGDCTLXZQHWPAH-ZCJYOONXSA-N
XLogP4.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one?
The IUPAC name of (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one (CID 91282038) is (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one.
What is the SMILES notation for (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one?
The canonical SMILES for (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one is CN1C(=O)C(c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(-c3cccnc3)c2)C=C1N.
What is the InChIKey of (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one?
The InChIKey is AGDCTLXZQHWPAH-ZCJYOONXSA-N. The full InChI is InChI=1S/C27H27N3O/c1-27(23-7-3-5-21(15-23)22-6-4-14-29-17-22)16-24(28)30(2)26(31)25(27)20-12-10-19(11-13-20)18-8-9-18/h3-7,10-18,25H,8-9,28H2,1-2H3/t25?,27-/m1/s1.
What are the key properties of (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one?
(4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one has a molecular weight of 409.53 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-amino-3-(4-cyclopropylphenyl)-1,4-dimethyl-4-(3-pyridin-3-ylphenyl)-3H-pyridin-2-one is sourced from PubChem (CID 91282038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).