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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Related Compounds

6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide
CID 56700797
3-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]-2,5-dimethylpyrazine
CID 56702359
6-[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxypyrazine-2-carboxamide
CID 56714306
2-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]-4-(trifluoromethyl)pyridine
CID 56710055
[6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56721787
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244
3,4-bis[4-(pyrrolidin-1-ylmethyl)phenoxy]benzamide
CID 169179173
6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358229
6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56723039
2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide
CID 131902059
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279

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).