N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H21N5O2 — CID 38797507

IUPACN-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H21N5O2/c1-19-17(24)13-2-4-15(5-3-13)22-18(25)14-6-10-23(11-7-14)16-12-20-8-9-21-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,19,24)(H,22,25)
InChIKeyMJUTXXFVOFJAOP-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.69
Rot. Bonds4

About N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 38797507) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID38797507
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H21N5O2/c1-19-17(24)13-2-4-15(5-3-13)22-18(25)14-6-10-23(11-7-14)16-12-20-8-9-21-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,19,24)(H,22,25)
InChIKeyMJUTXXFVOFJAOP-UHFFFAOYSA-N
XLogP1.69
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
N-[4-(1H-imidazol-5-yl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136577610
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 30840212
3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
CID 126794812
N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166239062
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 120566735
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222631
methyl 4-[(1-pyrazin-2-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 118790178
N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166244884
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 38797507) is N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is CNC(=O)c1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is MJUTXXFVOFJAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-19-17(24)13-2-4-15(5-3-13)22-18(25)14-6-10-23(11-7-14)16-12-20-8-9-21-16/h2-5,8-9,12,14H,6-7,10-11H2,1H3,(H,19,24)(H,22,25).
What are the key properties of N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 38797507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).