N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide

C22H34N4O — CID 176964726

IUPACN-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCC(C)(C)C12CCC(N3CCN(c4ccc(C(=O)NC)nc4)CC3)C1C2
InChIInChI=1S/C22H34N4O/c1-5-21(2,3)22-9-8-19(17(22)14-22)26-12-10-25(11-13-26)16-6-7-18(24-15-16)20(27)23-4/h6-7,15,17,19H,5,8-14H2,1-4H3,(H,23,27)
InChIKeyBMEOJZPPTPRJTL-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176964726) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176964726
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC NameN-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCC(C)(C)C12CCC(N3CCN(c4ccc(C(=O)NC)nc4)CC3)C1C2
InChIInChI=1S/C22H34N4O/c1-5-21(2,3)22-9-8-19(17(22)14-22)26-12-10-25(11-13-26)16-6-7-18(24-15-16)20(27)23-4/h6-7,15,17,19H,5,8-14H2,1-4H3,(H,23,27)
InChIKeyBMEOJZPPTPRJTL-UHFFFAOYSA-N
XLogP3.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964817
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748312
5-[4-(3-tert-butyl-3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748323
5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560514
5-[4-(4-tert-butyl-2-azabicyclo[2.2.1]heptan-2-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748288
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748291
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560594
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560444
N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 169148857

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide (CID 176964726) is N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide is CCC(C)(C)C12CCC(N3CCN(c4ccc(C(=O)NC)nc4)CC3)C1C2.
What is the InChIKey of N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is BMEOJZPPTPRJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-5-21(2,3)22-9-8-19(17(22)14-22)26-12-10-25(11-13-26)16-6-7-18(24-15-16)20(27)23-4/h6-7,15,17,19H,5,8-14H2,1-4H3,(H,23,27).
What are the key properties of N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176964726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).