N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide

C23H26N4O3 — CID 154850327

IUPACN-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)CCCC2=O)c1)C1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C23H26N4O3/c28-21-8-4-9-22(29)27(21)19-6-3-5-18(15-19)26-23(30)16-10-12-17(13-11-16)25-20-7-1-2-14-24-20/h1-3,5-7,14-17H,4,8-13H2,(H,24,25)(H,26,30)
InChIKeyBKSHSJOESGHOLZ-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.73
Rot. Bonds5

About N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide

N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 154850327) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide
PubChem CID154850327
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)CCCC2=O)c1)C1CCC(Nc2ccccn2)CC1
InChIInChI=1S/C23H26N4O3/c28-21-8-4-9-22(29)27(21)19-6-3-5-18(15-19)26-23(30)16-10-12-17(13-11-16)25-20-7-1-2-14-24-20/h1-3,5-7,14-17H,4,8-13H2,(H,24,25)(H,26,30)
InChIKeyBKSHSJOESGHOLZ-UHFFFAOYSA-N
XLogP3.73
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Jnk-IN-2
CID 57340680
4-(Benzylamino)-6-({4-[(1-Methylpiperidin-4-Yl)carbamoyl]phenyl}amino)pyridine-3-Carboxamide
CID 131704460
N-{4-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]pentan-2-yl}cyclohexanecarboxamide
CID 9550400
N-(2-carbamoylphenyl)-2-(piperidin-1-yl)pyridine-3-carboxamide
CID 2997445
Cyclohexanecarboxylic acid [3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-amide
CID 10292737
N-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-benzamide
CID 15045457
N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 23290944
1-acetyl-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)piperidine-3-carboxamide
CID 44408825
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
CID 46912327
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
CID 46913512
cis-4-(2-Oxo-piperidin-1-yl)-cyclohexanecarboxylic acid [5-(3,5-difluoro-phenyl)-pyridin-2-yl]-amide
CID 46913706
3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyridin-4-yl)-(1H)-pyridin-2-one
CID 52936530

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide (CID 154850327) is N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide is O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)C1CCC(Nc2ccccn2)CC1.
What is the InChIKey of N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is BKSHSJOESGHOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21-8-4-9-22(29)27(21)19-6-3-5-18(15-19)26-23(30)16-10-12-17(13-11-16)25-20-7-1-2-14-24-20/h1-3,5-7,14-17H,4,8-13H2,(H,24,25)(H,26,30).
What are the key properties of N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide?
N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dioxopiperidin-1-yl)phenyl]-4-(pyridin-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 154850327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).