6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide

C16H16ClFN4O2 — CID 56700797

IUPAC6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(Oc2cc(F)c(CN3CCCC3)c(Cl)c2)n1
InChIInChI=1S/C16H16ClFN4O2/c17-12-5-10(24-15-8-20-7-14(21-15)16(19)23)6-13(18)11(12)9-22-3-1-2-4-22/h5-8H,1-4,9H2,(H2,19,23)
InChIKeyMTZZWGKYICTAJK-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.76
Rot. Bonds5

About 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide

6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide (PubChem CID 56700797) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide
PubChem CID56700797
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(Oc2cc(F)c(CN3CCCC3)c(Cl)c2)n1
InChIInChI=1S/C16H16ClFN4O2/c17-12-5-10(24-15-8-20-7-14(21-15)16(19)23)6-13(18)11(12)9-22-3-1-2-4-22/h5-8H,1-4,9H2,(H2,19,23)
InChIKeyMTZZWGKYICTAJK-UHFFFAOYSA-N
XLogP2.76
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide
CID 56711042
2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide
CID 56702705
6-phenoxypyrazine-2-carboxamide
CID 21218509
[6-[2-(piperidin-1-ylmethyl)phenoxy]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56721787
6-[5-(morpholin-4-ylmethyl)quinolin-8-yl]oxypyrazine-2-carboxamide
CID 56714306
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 25246880
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 167950050
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 43923255
(4-bromo-1H-pyrazol-5-yl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19514863
6-[9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]pyrazine-2-carboxamide
CID 119069274
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide?
The IUPAC name of 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide (CID 56700797) is 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide is NC(=O)c1cncc(Oc2cc(F)c(CN3CCCC3)c(Cl)c2)n1.
What is the InChIKey of 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide?
The InChIKey is MTZZWGKYICTAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c17-12-5-10(24-15-8-20-7-14(21-15)16(19)23)6-13(18)11(12)9-22-3-1-2-4-22/h5-8H,1-4,9H2,(H2,19,23).
What are the key properties of 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide?
6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide has a molecular weight of 350.78 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 56700797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).