6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide

C30H43N9O4 — CID 174431705

About 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide

6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide (PubChem CID 174431705) has the molecular formula C30H43N9O4 and a molecular weight of 593.73 g/mol. Its IUPAC name is 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide
• PubChem CID: 174431705
• Molecular Formula: C30H43N9O4
• Molecular Weight: 593.73 g/mol
• Exact Mass: 593.34
• IUPAC Name: 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide
• SMILES: CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O)N(C(=O)c1ccc(N)nc1)C1CCCCC1
• InChI: InChI=1S/C30H43N9O4/c1-19(39(22-11-6-3-7-12-22)29(43)21-14-15-25(31)36-18-21)27(41)37-23(13-8-16-35-30(33)34)28(42)38-24(26(32)40)17-20-9-4-2-5-10-20/h2,4-5,9-10,14-15,18-19,22-24H,3,6-8,11-13,16-17H2,1H3,(H2,31,36)(H2,32,40)(H,37,41)(H,38,42)(H4,33,34,35)
• InChIKey: KEVYEWKCRXLGNK-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 224.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.73
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide?

The IUPAC name of 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide (CID 174431705) is 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide.

What is the SMILES notation for 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide?

The canonical SMILES for 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide is CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O)N(C(=O)c1ccc(N)nc1)C1CCCCC1.

What is the InChIKey of 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide?

The InChIKey is KEVYEWKCRXLGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N9O4/c1-19(39(22-11-6-3-7-12-22)29(43)21-14-15-25(31)36-18-21)27(41)37-23(13-8-16-35-30(33)34)28(42)38-24(26(32)40)17-20-9-4-2-5-10-20/h2,4-5,9-10,14-15,18-19,22-24H,3,6-8,11-13,16-17H2,1H3,(H2,31,36)(H2,32,40)(H,37,41)(H,38,42)(H4,33,34,35).

What are the key properties of 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide?

6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide has a molecular weight of 593.73 g/mol, XLogP of 0.58, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-N-cyclohexylpyridine-3-carboxamide is sourced from PubChem (CID 174431705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).