5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide

C12H16ClN3O2 — CID 107252486

IUPAC5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-16(8-9-4-2-3-5-18-9)12(17)10-6-15-11(13)7-14-10/h6-7,9H,2-5,8H2,1H3
InChIKeyCIYQABSTQZYVRY-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.77
Rot. Bonds3

About 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide

5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 107252486) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID107252486
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-16(8-9-4-2-3-5-18-9)12(17)10-6-15-11(13)7-14-10/h6-7,9H,2-5,8H2,1H3
InChIKeyCIYQABSTQZYVRY-UHFFFAOYSA-N
XLogP1.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374782
2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 114918226
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 95217132
5-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 113265016
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 95550396
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 127943943
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-1,8-naphthyridine-2-carboxamide
CID 95189773
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide (CID 107252486) is 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide is CN(CC1CCCCO1)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is CIYQABSTQZYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-16(8-9-4-2-3-5-18-9)12(17)10-6-15-11(13)7-14-10/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide?
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107252486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).