N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide

C24H29Cl2N3O3 — CID 22452505

IUPACN-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide
SMILESNC(=O)C(CC(O)C(Cc1ccccc1)NC(=O)c1cnc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C24H29Cl2N3O3/c25-19-12-17(14-28-22(19)26)24(32)29-20(11-15-7-3-1-4-8-15)21(30)13-18(23(27)31)16-9-5-2-6-10-16/h1,3-4,7-8,12,14,16,18,20-21,30H,2,5-6,9-11,13H2,(H2,27,31)(H,29,32)
InChIKeyMBYMCMFFOBUYCA-UHFFFAOYSA-N
MW478.42 g/mol
LogP4.16
Rot. Bonds9

About N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide

N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide (PubChem CID 22452505) has the molecular formula C24H29Cl2N3O3 and a molecular weight of 478.42 g/mol. Its IUPAC name is N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide
PubChem CID22452505
Molecular FormulaC24H29Cl2N3O3
Molecular Weight478.42 g/mol
Exact Mass477.16
IUPAC NameN-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide
SMILESNC(=O)C(CC(O)C(Cc1ccccc1)NC(=O)c1cnc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C24H29Cl2N3O3/c25-19-12-17(14-28-22(19)26)24(32)29-20(11-15-7-3-1-4-8-15)21(30)13-18(23(27)31)16-9-5-2-6-10-16/h1,3-4,7-8,12,14,16,18,20-21,30H,2,5-6,9-11,13H2,(H2,27,31)(H,29,32)
InChIKeyMBYMCMFFOBUYCA-UHFFFAOYSA-N
XLogP4.16
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S,3S,5S)-6-amino-5-cycloheptyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 57143878
N-[(2S,3S,5R)-1-(4-chlorophenyl)-5-(cyclohexylmethyl)-3-hydroxy-6-(methylamino)-6-oxohexan-2-yl]quinoline-3-carboxamide
CID 57080445
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid
CID 62697669
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
N-[6-amino-5-(3,3-difluorocyclohexyl)-3-hydroxy-6-oxo-1-pyridin-3-ylhexan-2-yl]quinoxaline-2-carboxamide
CID 159447883
4-chloro-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3,5-bis(2-oxopyrrolidin-1-yl)benzamide
CID 69359042
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616
N-[(2S)-1-bis(phenylmethoxy)phosphoryl-3-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl]quinoline-3-carboxamide
CID 12042663
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
(2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide
CID 68898958

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide (CID 22452505) is N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide is NC(=O)C(CC(O)C(Cc1ccccc1)NC(=O)c1cnc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide?
The InChIKey is MBYMCMFFOBUYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O3/c25-19-12-17(14-28-22(19)26)24(32)29-20(11-15-7-3-1-4-8-15)21(30)13-18(23(27)31)16-9-5-2-6-10-16/h1,3-4,7-8,12,14,16,18,20-21,30H,2,5-6,9-11,13H2,(H2,27,31)(H,29,32).
What are the key properties of N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide?
N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide has a molecular weight of 478.42 g/mol, XLogP of 4.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl)-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 22452505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).