1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C23H36N4O3 — CID 59718848

IUPAC1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NN
InChIInChI=1S/C23H36N4O3/c1-23(2,22(30)26-24)25-20(28)18-14-17-12-8-3-4-9-13-19(17)27(21(18)29)15-16-10-6-5-7-11-16/h14,16H,3-13,15,24H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyQQNHWLNCYYWVAK-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.59
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 59718848) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID59718848
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NN
InChIInChI=1S/C23H36N4O3/c1-23(2,22(30)26-24)25-20(28)18-14-17-12-8-3-4-9-13-19(17)27(21(18)29)15-16-10-6-5-7-11-16/h14,16H,3-13,15,24H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyQQNHWLNCYYWVAK-UHFFFAOYSA-N
XLogP2.59
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethyl)-N-[2-methyl-1-(2-methylsulfonylhydrazinyl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718841
N-[1-(2-acetamidoethylamino)-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70693862
N-[1-[(2-amino-2-oxoethyl)amino]-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70693863
N-[1-(4-carbamoylpiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70693864
1-(cyclohexylmethyl)-N-[1-[2-(dimethylamino)ethylamino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 70691799
1-(cyclohexylmethyl)-N-[1-[methoxy(methyl)amino]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718732
1-(cyclohexylmethyl)-N-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718821
1-(cyclohexylmethyl)-N-[1-(ethylamino)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718887
1-(cyclohexylmethyl)-N-[1-(4,4-dimethylpiperazin-4-ium-1-yl)-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 67519817
N-tert-butyl-1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 67519996
2-[[1-(cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-methylpropanethioic S-acid
CID 87430829
1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-(2-sulfanylhydrazinyl)propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 87851773

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 59718848) is 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NN.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is QQNHWLNCYYWVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-23(2,22(30)26-24)25-20(28)18-14-17-12-8-3-4-9-13-19(17)27(21(18)29)15-16-10-6-5-7-11-16/h14,16H,3-13,15,24H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59718848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).