6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

C14H13Cl2N3O2 — CID 106551049

IUPAC6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cncc(Cl)n2)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-8(2)21-12-4-3-9(5-10(12)15)18-14(20)11-6-17-7-13(16)19-11/h3-8H,1-2H3,(H,18,20)
InChIKeyDNNPCZPSKOQPFI-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.82
Rot. Bonds4

About 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 106551049) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
PubChem CID106551049
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cncc(Cl)n2)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2/c1-8(2)21-12-4-3-9(5-10(12)15)18-14(20)11-6-17-7-13(16)19-11/h3-8H,1-2H3,(H,18,20)
InChIKeyDNNPCZPSKOQPFI-UHFFFAOYSA-N
XLogP3.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
CID 106551160
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
2-(2-aminoethyl)-N-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 120621387
6-chloro-N-[4-(difluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 103186812
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39135194
6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 106551049) is 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2cncc(Cl)n2)cc1Cl.
What is the InChIKey of 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
The InChIKey is DNNPCZPSKOQPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-8(2)21-12-4-3-9(5-10(12)15)18-14(20)11-6-17-7-13(16)19-11/h3-8H,1-2H3,(H,18,20).
What are the key properties of 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?
6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).