N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide

C23H34N2O — CID 118894097

IUPACN-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide
SMILESCC(C)C1CC=C2C[C@@H](NC(=O)c3ccccn3)CC[C@]2(C)C1C(C)C
InChIInChI=1S/C23H34N2O/c1-15(2)19-10-9-17-14-18(11-12-23(17,5)21(19)16(3)4)25-22(26)20-8-6-7-13-24-20/h6-9,13,15-16,18-19,21H,10-12,14H2,1-5H3,(H,25,26)/t18-,19?,21?,23-/m0/s1
InChIKeyRMXACDBBTXQRSJ-UETMWJFSSA-N
MW354.54 g/mol
LogP5.24
Rot. Bonds4

About N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide

N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide (PubChem CID 118894097) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide
PubChem CID118894097
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC NameN-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide
SMILESCC(C)C1CC=C2C[C@@H](NC(=O)c3ccccn3)CC[C@]2(C)C1C(C)C
InChIInChI=1S/C23H34N2O/c1-15(2)19-10-9-17-14-18(11-12-23(17,5)21(19)16(3)4)25-22(26)20-8-6-7-13-24-20/h6-9,13,15-16,18-19,21H,10-12,14H2,1-5H3,(H,25,26)/t18-,19?,21?,23-/m0/s1
InChIKeyRMXACDBBTXQRSJ-UETMWJFSSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-thiol
CID 118894081
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-2-carboxamide
CID 6927601
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-[3-[2-tri(propan-2-yl)silylethynyl]cycloheptyl]pyridine-2-carboxamide
CID 155618824
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 62492174
N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 175814951
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide (CID 118894097) is N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide is CC(C)C1CC=C2C[C@@H](NC(=O)c3ccccn3)CC[C@]2(C)C1C(C)C.
What is the InChIKey of N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide?
The InChIKey is RMXACDBBTXQRSJ-UETMWJFSSA-N. The full InChI is InChI=1S/C23H34N2O/c1-15(2)19-10-9-17-14-18(11-12-23(17,5)21(19)16(3)4)25-22(26)20-8-6-7-13-24-20/h6-9,13,15-16,18-19,21H,10-12,14H2,1-5H3,(H,25,26)/t18-,19?,21?,23-/m0/s1.
What are the key properties of N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide?
N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide has a molecular weight of 354.54 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4aR)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118894097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).