N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide

C14H22N4O — CID 98720786

IUPACN-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
SMILESC[C@@H]1CCCN([C@H](C)CNC(=O)c2cnccn2)C1
InChIInChI=1S/C14H22N4O/c1-11-4-3-7-18(10-11)12(2)8-17-14(19)13-9-15-5-6-16-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyVLAGCBHFAIKALH-VXGBXAGGSA-N
MW262.36 g/mol
LogP1.33
Rot. Bonds4

About N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide

N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide (PubChem CID 98720786) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
PubChem CID98720786
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
SMILESC[C@@H]1CCCN([C@H](C)CNC(=O)c2cnccn2)C1
InChIInChI=1S/C14H22N4O/c1-11-4-3-7-18(10-11)12(2)8-17-14(19)13-9-15-5-6-16-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyVLAGCBHFAIKALH-VXGBXAGGSA-N
XLogP1.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717834
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
(3S)-N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 816617
3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55717832
N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 100851865
2-chloro-4-fluoro-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036175
2-chloro-4-fluoro-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 98720791
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide
CID 95292177

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide (CID 98720786) is N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide is C[C@@H]1CCCN([C@H](C)CNC(=O)c2cnccn2)C1.
What is the InChIKey of N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide?
The InChIKey is VLAGCBHFAIKALH-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-4-3-7-18(10-11)12(2)8-17-14(19)13-9-15-5-6-16-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide?
N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 98720786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).