N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide

C24H26N6O2 — CID 20765797

IUPACN-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2cc(-c3cccnc3)cc(NC3CCC3)c2=O)cc1
InChIInChI=1S/C24H26N6O2/c25-23(26)17-8-6-16(7-9-17)12-28-22(31)15-30-14-19(18-3-2-10-27-13-18)11-21(24(30)32)29-20-4-1-5-20/h2-3,6-11,13-14,20,29H,1,4-5,12,15H2,(H3,25,26)(H,28,31)
InChIKeySCKJVJWASZYHIG-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.48
Rot. Bonds8

About N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide

N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide (PubChem CID 20765797) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide
PubChem CID20765797
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2cc(-c3cccnc3)cc(NC3CCC3)c2=O)cc1
InChIInChI=1S/C24H26N6O2/c25-23(26)17-8-6-16(7-9-17)12-28-22(31)15-30-14-19(18-3-2-10-27-13-18)11-21(24(30)32)29-20-4-1-5-20/h2-3,6-11,13-14,20,29H,1,4-5,12,15H2,(H3,25,26)(H,28,31)
InChIKeySCKJVJWASZYHIG-UHFFFAOYSA-N
XLogP2.48
TPSA125.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(cyclohexylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide
CID 10896304
N-[(4-carbamimidoylphenyl)methyl]-3-[3-(cyclobutylamino)-6-(3,5-diaminophenyl)-2-oxo-1-pyridinyl]propanamide
CID 142097195
N-[(4-carbamimidoylphenyl)methyl]-2-[3-chloro-5-(cyclobutylamino)-2-(2-hydroxyphenyl)-6-oxopyrazin-1-yl]acetamide
CID 10939772
trans-(1R,2R)-2-N-benzyl-1-N-[(4-carbamimidoylphenyl)methyl]cyclopentane-1,2-dicarboxamide
CID 10667379
N-benzyl-2-(5-oxo-2-pyridin-3-ylpyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 171146176
2-[3-(3-aminophenyl)-6-cyclobutylimino-1-hydroxy-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 10160723
2-[6-benzyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 20608775
2-[5-bromo-4-(cyclodecylamino)-6-oxopyridazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 59574664
N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide
CID 121116890
2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 10181307
3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide
CID 67195128
N-[(4-carbamimidoylphenyl)methyl]-2-(3-ethyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 20653120

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide (CID 20765797) is N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide is [H]/N=C(\N)c1ccc(CNC(=O)Cn2cc(-c3cccnc3)cc(NC3CCC3)c2=O)cc1.
What is the InChIKey of N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide?
The InChIKey is SCKJVJWASZYHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c25-23(26)17-8-6-16(7-9-17)12-28-22(31)15-30-14-19(18-3-2-10-27-13-18)11-21(24(30)32)29-20-4-1-5-20/h2-3,6-11,13-14,20,29H,1,4-5,12,15H2,(H3,25,26)(H,28,31).
What are the key properties of N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide?
N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide has a molecular weight of 430.51 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 N-[(4-carbamimidoylphenyl)methyl]-2-[3-(cyclobutylamino)-2-oxo-5-pyridin-3-yl-1-pyridinyl]acetamide is sourced from PubChem (CID 20765797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).