1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C29H45N5O4 — CID 90747017

IUPAC1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-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)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C29H45N5O4/c1-29(2,28(38)33-16-14-21(15-17-33)25(35)32-30)31-26(36)23-18-22-12-8-3-4-9-13-24(22)34(27(23)37)19-20-10-6-5-7-11-20/h18,20-21H,3-17,19,30H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyYHYYFMKRHIMEES-UHFFFAOYSA-N
MW527.71 g/mol
LogP2.82
Rot. Bonds6

About 1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 90747017) has the molecular formula C29H45N5O4 and a molecular weight of 527.71 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-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-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID90747017
Molecular FormulaC29H45N5O4
Molecular Weight527.71 g/mol
Exact Mass527.35
IUPAC Name1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-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)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C29H45N5O4/c1-29(2,28(38)33-16-14-21(15-17-33)25(35)32-30)31-26(36)23-18-22-12-8-3-4-9-13-24(22)34(27(23)37)19-20-10-6-5-7-11-20/h18,20-21H,3-17,19,30H2,1-2H3,(H,31,36)(H,32,35)
InChIKeyYHYYFMKRHIMEES-UHFFFAOYSA-N
XLogP2.82
TPSA126.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.71
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-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-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 90747017) is 1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-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-[4-(hydrazinecarbonyl)piperidin-1-yl]-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-[4-(hydrazinecarbonyl)piperidin-1-yl]-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)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is YHYYFMKRHIMEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N5O4/c1-29(2,28(38)33-16-14-21(15-17-33)25(35)32-30)31-26(36)23-18-22-12-8-3-4-9-13-24(22)34(27(23)37)19-20-10-6-5-7-11-20/h18,20-21H,3-17,19,30H2,1-2H3,(H,31,36)(H,32,35).
What are the key properties of 1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 527.71 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[1-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 90747017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).