N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide

C19H30N4O2 — CID 59007553

IUPACN-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide
SMILESCCO[C@@H]1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2cnccn2)C1
InChIInChI=1S/C19H30N4O2/c1-2-25-16-7-5-11-23(14-16)13-15-6-3-4-8-17(15)22-19(24)18-12-20-9-10-21-18/h9-10,12,15-17H,2-8,11,13-14H2,1H3,(H,22,24)/t15-,16+,17+/m0/s1
InChIKeyLDMISLXRZCHHNE-GVDBMIGSSA-N
MW346.48 g/mol
LogP2.27
Rot. Bonds6

About N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide

N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide (PubChem CID 59007553) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide
PubChem CID59007553
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide
SMILESCCO[C@@H]1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2cnccn2)C1
InChIInChI=1S/C19H30N4O2/c1-2-25-16-7-5-11-23(14-16)13-15-6-3-4-8-17(15)22-19(24)18-12-20-9-10-21-18/h9-10,12,15-17H,2-8,11,13-14H2,1H3,(H,22,24)/t15-,16+,17+/m0/s1
InChIKeyLDMISLXRZCHHNE-GVDBMIGSSA-N
XLogP2.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69089206
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 75529533
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 141475453
N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
CID 89460399
4-(aminomethyl)-N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]benzamide
CID 59007507
methyl 6-(3-ethoxypiperidin-1-yl)pyrazine-2-carboxylate
CID 66451057
N-[(3S)-7-(cyclopropylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrazine-2-carboxamide
CID 97374790
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide (CID 59007553) is N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide is CCO[C@@H]1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2cnccn2)C1.
What is the InChIKey of N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is LDMISLXRZCHHNE-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-2-25-16-7-5-11-23(14-16)13-15-6-3-4-8-17(15)22-19(24)18-12-20-9-10-21-18/h9-10,12,15-17H,2-8,11,13-14H2,1H3,(H,22,24)/t15-,16+,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide?
N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 59007553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).