3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide

C14H17N5O — CID 17452742

IUPAC3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2nccnc2N)cc1
InChIInChI=1S/C14H17N5O/c1-19(2)11-5-3-10(4-6-11)9-18-14(20)12-13(15)17-8-7-16-12/h3-8H,9H2,1-2H3,(H2,15,17)(H,18,20)
InChIKeyTYBPPCQBWIIXDT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.05
Rot. Bonds4

About 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide

3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 17452742) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID17452742
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2nccnc2N)cc1
InChIInChI=1S/C14H17N5O/c1-19(2)11-5-3-10(4-6-11)9-18-14(20)12-13(15)17-8-7-16-12/h3-8H,9H2,1-2H3,(H2,15,17)(H,18,20)
InChIKeyTYBPPCQBWIIXDT-UHFFFAOYSA-N
XLogP1.05
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 104741972
3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 51312748
3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46673346
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 51940382
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 26819882
4-amino-N-[2-[[4-(dimethylamino)phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide chloride
CID 21233363
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787483

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide (CID 17452742) is 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide is CN(C)c1ccc(CNC(=O)c2nccnc2N)cc1.
What is the InChIKey of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is TYBPPCQBWIIXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19(2)11-5-3-10(4-6-11)9-18-14(20)12-13(15)17-8-7-16-12/h3-8H,9H2,1-2H3,(H2,15,17)(H,18,20).
What are the key properties of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 17452742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).