N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine

C37H46ClN9O7 — CID 144791289

About N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine

N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine (PubChem CID 144791289) has the molecular formula C37H46ClN9O7 and a molecular weight of 764.28 g/mol. Its IUPAC name is N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine.

Molecular Properties

• Compound Name: N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine
• PubChem CID: 144791289
• Molecular Formula: C37H46ClN9O7
• Molecular Weight: 764.28 g/mol
• Exact Mass: 763.32
• IUPAC Name: N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine
• SMILES: C=C(CNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)NC(C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)c1nc2ncccc2o1)C(C)O.CN
• InChI: InChI=1S/C36H41ClN8O7.CH5N/c1-21(18-40-33(49)25-10-8-23(9-11-25)24-12-14-26(37)15-13-24)43-31(22(2)46)35(51)42-20-30(48)44-27(6-3-4-16-38)34(50)41-19-28(47)36-45-32-29(52-36)7-5-17-39-32;1-2/h5,7-15,17,22,27,31,43,46H,1,3-4,6,16,18-20,38H2,2H3,(H,40,49)(H,41,50)(H,42,51)(H,44,48);2H2,1H3
• InChIKey: NOSHLBZHPSQHME-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 256.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	764.28
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine?

The IUPAC name of N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine (CID 144791289) is N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine.

What is the SMILES notation for N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine?

The canonical SMILES for N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine is C=C(CNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)NC(C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)c1nc2ncccc2o1)C(C)O.CN.

What is the InChIKey of N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine?

The InChIKey is NOSHLBZHPSQHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41ClN8O7.CH5N/c1-21(18-40-33(49)25-10-8-23(9-11-25)24-12-14-26(37)15-13-24)43-31(22(2)46)35(51)42-20-30(48)44-27(6-3-4-16-38)34(50)41-19-28(47)36-45-32-29(52-36)7-5-17-39-32;1-2/h5,7-15,17,22,27,31,43,46H,1,3-4,6,16,18-20,38H2,2H3,(H,40,49)(H,41,50)(H,42,51)(H,44,48);2H2,1H3.

What are the key properties of N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine?

N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine has a molecular weight of 764.28 g/mol, XLogP of 1.43, 19 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[[2-[[6-amino-1-[[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]prop-2-enyl]-4-(4-chlorophenyl)benzamide;methanamine is sourced from PubChem (CID 144791289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).