5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide

C16H21N5O2 — CID 128988052

IUPAC5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(c2nccn2C)C2CCOCC2)cn1
InChIInChI=1S/C16H21N5O2/c1-11-9-19-13(10-18-11)16(22)20-14(12-3-7-23-8-4-12)15-17-5-6-21(15)2/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3,(H,20,22)
InChIKeyBJRWLYQXHORVBE-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.42
Rot. Bonds4

About 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide

5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 128988052) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID128988052
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC(c2nccn2C)C2CCOCC2)cn1
InChIInChI=1S/C16H21N5O2/c1-11-9-19-13(10-18-11)16(22)20-14(12-3-7-23-8-4-12)15-17-5-6-21(15)2/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3,(H,20,22)
InChIKeyBJRWLYQXHORVBE-UHFFFAOYSA-N
XLogP1.42
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
CID 129487026
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
1-ethyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazole-4-carboxamide
CID 154736963
4-chloro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 129487218
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 128988058
1-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 154736699
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]imidazo[1,5-a]pyridine-6-carboxamide
CID 167871599
3-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzotriazole-5-carboxamide
CID 128988071

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide (CID 128988052) is 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC(c2nccn2C)C2CCOCC2)cn1.
What is the InChIKey of 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is BJRWLYQXHORVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-9-19-13(10-18-11)16(22)20-14(12-3-7-23-8-4-12)15-17-5-6-21(15)2/h5-6,9-10,12,14H,3-4,7-8H2,1-2H3,(H,20,22).
What are the key properties of 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide?
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 128988052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).