(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide

C23H24N4O2 — CID 68602333

IUPAC(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@@H]1C)c1cccc2ccccc12
InChIInChI=1S/C23H24N4O2/c1-14(18-9-5-7-17-6-3-4-8-19(17)18)26-23(29)27-15(2)20(22(27)28)12-16-10-11-25-21(24)13-16/h3-11,13-15,20H,12H2,1-2H3,(H2,24,25)(H,26,29)/t14-,15+,20-/m1/s1
InChIKeyTUGUWWNCKKZOTC-QEEYODRMSA-N
MW388.47 g/mol
LogP3.68
Rot. Bonds4

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide (PubChem CID 68602333) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide
PubChem CID68602333
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@@H]1C)c1cccc2ccccc12
InChIInChI=1S/C23H24N4O2/c1-14(18-9-5-7-17-6-3-4-8-19(17)18)26-23(29)27-15(2)20(22(27)28)12-16-10-11-25-21(24)13-16/h3-11,13-15,20H,12H2,1-2H3,(H2,24,25)(H,26,29)/t14-,15+,20-/m1/s1
InChIKeyTUGUWWNCKKZOTC-QEEYODRMSA-N
XLogP3.68
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide?
The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide (CID 68602333) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide?
The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide is C[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@@H]1C)c1cccc2ccccc12.
What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide?
The InChIKey is TUGUWWNCKKZOTC-QEEYODRMSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(18-9-5-7-17-6-3-4-8-19(17)18)26-23(29)27-15(2)20(22(27)28)12-16-10-11-25-21(24)13-16/h3-11,13-15,20H,12H2,1-2H3,(H2,24,25)(H,26,29)/t14-,15+,20-/m1/s1.
What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide?
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide is sourced from PubChem (CID 68602333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).