6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide

C12H16ClN3O2 — CID 106551582

IUPAC6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-16(8-12(18)4-2-3-5-12)11(17)9-6-14-7-10(13)15-9/h6-7,18H,2-5,8H2,1H3
InChIKeyUYDPIFNMQWYNDD-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.51
Rot. Bonds3

About 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide

6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 106551582) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide
PubChem CID106551582
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-16(8-12(18)4-2-3-5-12)11(17)9-6-14-7-10(13)15-9/h6-7,18H,2-5,8H2,1H3
InChIKeyUYDPIFNMQWYNDD-UHFFFAOYSA-N
XLogP1.51
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
CID 113322275
2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 115760057
6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide
CID 106551756
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 114953078
6-chloro-N-cyclopropyl-N-methylpyrazine-2-carboxamide
CID 103187185
6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 106551043
6-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridazine-3-carboxamide
CID 114953290
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
6-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551418
6-[2-(1-hydroxycyclopentyl)ethylamino]-N,N-dimethylpyrazine-2-carboxamide
CID 131918436
6-chloro-N-cyclopentyl-N-ethylpyrazine-2-carboxamide
CID 103187282

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide (CID 106551582) is 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide is CN(CC1(O)CCCC1)C(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is UYDPIFNMQWYNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-16(8-12(18)4-2-3-5-12)11(17)9-6-14-7-10(13)15-9/h6-7,18H,2-5,8H2,1H3.
What are the key properties of 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide?
6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 106551582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).