N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide

C20H30N6O — CID 131929434

IUPACN-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCCCCc1ncc(CN2CCCC(CNC(=O)c3cnc(C)cn3)C2)[nH]1
InChIInChI=1S/C20H30N6O/c1-3-4-7-19-23-11-17(25-19)14-26-8-5-6-16(13-26)10-24-20(27)18-12-21-15(2)9-22-18/h9,11-12,16H,3-8,10,13-14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyOBBGKBDEABFWBN-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.49
Rot. Bonds8

About N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide

N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 131929434) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID131929434
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCCCCc1ncc(CN2CCCC(CNC(=O)c3cnc(C)cn3)C2)[nH]1
InChIInChI=1S/C20H30N6O/c1-3-4-7-19-23-11-17(25-19)14-26-8-5-6-16(13-26)10-24-20(27)18-12-21-15(2)9-22-18/h9,11-12,16H,3-8,10,13-14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyOBBGKBDEABFWBN-UHFFFAOYSA-N
XLogP2.49
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide
CID 131939771
3-hydroxy-N-[[(3R)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95199898
N-[[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 131937883
N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 131893031
1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 45246172
(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 26393246
2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 125025801
2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 56711026
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
5-methyl-N-[[1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]methyl]pyrazine-2-carboxamide
CID 131920940
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 45170548

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide (CID 131929434) is N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide is CCCCc1ncc(CN2CCCC(CNC(=O)c3cnc(C)cn3)C2)[nH]1.
What is the InChIKey of N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is OBBGKBDEABFWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-3-4-7-19-23-11-17(25-19)14-26-8-5-6-16(13-26)10-24-20(27)18-12-21-15(2)9-22-18/h9,11-12,16H,3-8,10,13-14H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide?
N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 131929434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).