6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide

C16H17ClN4O2 — CID 56711042

IUPAC6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(Oc2ccc(CN3CCCC3)cc2Cl)n1
InChIInChI=1S/C16H17ClN4O2/c17-12-7-11(10-21-5-1-2-6-21)3-4-14(12)23-15-9-19-8-13(20-15)16(18)22/h3-4,7-9H,1-2,5-6,10H2,(H2,18,22)
InChIKeyRDCNDMYASRKQNW-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.62
Rot. Bonds5

About 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide

6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide (PubChem CID 56711042) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide
PubChem CID56711042
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(Oc2ccc(CN3CCCC3)cc2Cl)n1
InChIInChI=1S/C16H17ClN4O2/c17-12-7-11(10-21-5-1-2-6-21)3-4-14(12)23-15-9-19-8-13(20-15)16(18)22/h3-4,7-9H,1-2,5-6,10H2,(H2,18,22)
InChIKeyRDCNDMYASRKQNW-UHFFFAOYSA-N
XLogP2.62
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide (CID 56711042) is 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide is NC(=O)c1cncc(Oc2ccc(CN3CCCC3)cc2Cl)n1.
What is the InChIKey of 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide?
The InChIKey is RDCNDMYASRKQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-7-11(10-21-5-1-2-6-21)3-4-14(12)23-15-9-19-8-13(20-15)16(18)22/h3-4,7-9H,1-2,5-6,10H2,(H2,18,22).
What are the key properties of 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide?
6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 56711042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).