2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide

C23H27N7O2 — CID 10181307

IUPAC2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2c(-c3cccc(N)c3)ccc(NN(C)C)c2=O)cc1
InChIInChI=1S/C23H27N7O2/c1-29(2)28-19-10-11-20(17-4-3-5-18(24)12-17)30(23(19)32)14-21(31)27-13-15-6-8-16(9-7-15)22(25)26/h3-12,28H,13-14,24H2,1-2H3,(H3,25,26)(H,27,31)
InChIKeyDHLHJPBSSIUESF-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.59
Rot. Bonds8

About 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide

2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide (PubChem CID 10181307) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
PubChem CID10181307
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)Cn2c(-c3cccc(N)c3)ccc(NN(C)C)c2=O)cc1
InChIInChI=1S/C23H27N7O2/c1-29(2)28-19-10-11-20(17-4-3-5-18(24)12-17)30(23(19)32)14-21(31)27-13-15-6-8-16(9-7-15)22(25)26/h3-12,28H,13-14,24H2,1-2H3,(H3,25,26)(H,27,31)
InChIKeyDHLHJPBSSIUESF-UHFFFAOYSA-N
XLogP1.59
TPSA142.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-5-[methyl(methylamino)amino]-6-oxo-2-pyridinyl]benzoic acid
CID 70098762
N-[(4-carbamimidoylphenyl)methyl]-3-[3-(cyclobutylamino)-6-(3,5-diaminophenyl)-2-oxo-1-pyridinyl]propanamide
CID 142097195
2-[3-amino-6-[3-amino-5-(1-hydroxyethyl)phenyl]-2-oxopyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide;formaldehyde
CID 142232633
3-amino-5-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-3-chloro-5-(2-ethyl-2-methylhydrazinyl)-6-oxopyrazin-2-yl]benzoic acid
CID 10230056
N-[(4-carbamimidoylphenyl)methyl]-2-[4-chloro-2-(3,5-diaminophenyl)-5-(2,2-dimethylhydrazinyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetamide
CID 10141518
2-[3-(3-aminophenyl)-4-chloro-1-hydroxy-6-methylimino-2-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 10160362
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-[2-(dimethylamino)ethylamino]-2-oxo-6-phenylpyrazin-1-yl]acetamide
CID 10885334
3-amino-N-benzyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-(2,2-dimethylhydrazinyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]benzamide
CID 10231882
3-amino-5-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-oxo-5-(propan-2-ylamino)pyrazin-2-yl]-N-[(3-fluorophenyl)methyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 159912022
3-amino-5-[4-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-(2,2-diethylhydrazinyl)-3,5-dioxo-1,2,4-triazin-2-yl]benzoic acid
CID 10208350
acetic acid;2-[6-(3-amino-5-butoxyphenyl)-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 158005359
3-amino-N-[(2S)-butan-2-yl]-5-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-5-(3-methylbutan-2-ylamino)-6-oxopyrazin-2-yl]benzamide
CID 142232535

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide?
The IUPAC name of 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide (CID 10181307) is 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide is [H]/N=C(\N)c1ccc(CNC(=O)Cn2c(-c3cccc(N)c3)ccc(NN(C)C)c2=O)cc1.
What is the InChIKey of 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide?
The InChIKey is DHLHJPBSSIUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-29(2)28-19-10-11-20(17-4-3-5-18(24)12-17)30(23(19)32)14-21(31)27-13-15-6-8-16(9-7-15)22(25)26/h3-12,28H,13-14,24H2,1-2H3,(H3,25,26)(H,27,31).
What are the key properties of 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide?
2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide has a molecular weight of 433.52 g/mol, XLogP of 1.59, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-aminophenyl)-3-(2,2-dimethylhydrazinyl)-2-oxo-1-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide is sourced from PubChem (CID 10181307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).