(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide

C27H33N5O3 — CID 148922881

About (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide

(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 148922881) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide
• PubChem CID: 148922881
• Molecular Formula: C27H33N5O3
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.26
• IUPAC Name: (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide
• SMILES: COc1ccc2cc(C[C@@H]3CN[C@@H](C(=O)N[C@@H](C)C(=O)NCc4ccc(N)nc4C)C3)ccc2c1
• InChI: InChI=1S/C27H33N5O3/c1-16-22(7-9-25(28)31-16)15-30-26(33)17(2)32-27(34)24-12-19(14-29-24)10-18-4-5-21-13-23(35-3)8-6-20(21)11-18/h4-9,11,13,17,19,24,29H,10,12,14-15H2,1-3H3,(H2,28,31)(H,30,33)(H,32,34)/t17-,19-,24+/m0/s1
• InChIKey: PKKOIBAGHODLKC-WVMBUTMQSA-N
• XLogP: 2.48
• TPSA: 118.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide (CID 148922881) is (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide is COc1ccc2cc(C[C@@H]3CN[C@@H](C(=O)N[C@@H](C)C(=O)NCc4ccc(N)nc4C)C3)ccc2c1.

What is the InChIKey of (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide?

The InChIKey is PKKOIBAGHODLKC-WVMBUTMQSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-16-22(7-9-25(28)31-16)15-30-26(33)17(2)32-27(34)24-12-19(14-29-24)10-18-4-5-21-13-23(35-3)8-6-20(21)11-18/h4-9,11,13,17,19,24,29H,10,12,14-15H2,1-3H3,(H2,28,31)(H,30,33)(H,32,34)/t17-,19-,24+/m0/s1.

What are the key properties of (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide?

(2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 2.48, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-4-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 148922881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).